A0A096NKE0_PAPAN Loading...

Cytochrome P450

Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics.

AlphaFold DB , UniProt , Accession A0A096NKE0, Species PAPAN (Papio anubis, Olive baboon), Gene CYP2D6, Length 497 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.6Low74.1Confident222 Ų222110.5 Ų110.5100%1.09462%0.621SS**  0101.30-97.5169.757.700106.5
2E52.4Low75.2Confident155 Ų155108.9 Ų108.972%0.72462%0.617SS**  trans-70.1142.8-167.6-67.6172.1159.200111D4 A5E2-D4 PolarHBondContact O-N 3.1Å; E2-A5 PolarHBondContact O-N 3.07Å; E2-A5 VanDerWaalsContact O-N 3.09Å
3L59.8Low76.2Confident141 Ų141106.1 Ų106.174%0.73860%0.603SS**Hα-helixtrans-50.7-26.9177.4-118.378.6000112.4A5 L6L3-A5 VanDerWaalsContact C-N 3.28Å; L3-A5 PolarHBondContact O-N 3.18Å; L3-L6 PolarHBondContact O-N 3.15Å; L3-L6 VanDerWaalsContact O-N 3.17Å
4D68.4Low76.9Confident132 Ų132102.6 Ų102.671%0.70659%0.593SS**Hα-helixtrans-66.2-21.8-178.6-68.3-18.9000114.3E2 P8E2-D4 PolarHBondContact O-N 3.1Å; D4-P8 WeakPolarHBondContact O-CD 3.48Å; D4-P8 VanDerWaalsContact O-CG 3.3Å; D4-P8 WeakPolarHBondContact O-CG 3.31Å
5A73.1Confident77.5Confident67 Ų67102 Ų10255%0.55459%0.586SS**Hα-helixtrans-89.6-20.9174.500000113.2E2 L3 L9E2-A5 PolarHBondContact O-N 3.07Å; E2-A5 VanDerWaalsContact O-N 3.09Å; L3-A5 VanDerWaalsContact C-N 3.28Å; L3-A5 PolarHBondContact O-N 3.18Å; A5-L9 VanDerWaalsContact O-CB 3.32Å; A5-L9 WeakPolarHBondContact O-CB 3.49Å; A5-L9 PolarHBondContact O-N 3.11Å
6L78.6Confident78.2Confident91 Ų91103.8 Ų103.848%0.47659%0.585SS.*Hα-helixtrans-76.3-36.8-177.6-76.3165.8000112.1L3 A10L3-L6 PolarHBondContact O-N 3.15Å; L3-L6 VanDerWaalsContact O-N 3.17Å; L6-A10 VanDerWaalsContact O-CB 3.27Å; L6-A10 WeakPolarHBondContact O-CB 3.32Å; L6-A10 PolarHBondContact O-N 3.46Å
7V83.7Confident78.6Confident95 Ų95103.9 Ų103.958%0.57658%0.583SS**Hα-helixtrans-63.1-54.9178.2179.60000112.6L9 A10 V11V7-L9 VanDerWaalsContact C-N 3.29Å; V7-L9 PolarHBondContact O-N 3.36Å; V7-A10 PolarHBondContact O-N 3.43Å; V7-V11 WeakPolarHBondContact O-CG2 3.49Å; V7-V11 PolarHBondContact O-N 3.1Å
8P85.7Confident78.9Confident68 Ų68103.1 Ų103.144%0.44258%0.577SS.*Hα-helixtrans-64.9-32.817924.1-33.3000112.5D4 T12D4-P8 WeakPolarHBondContact O-CD 3.48Å; D4-P8 VanDerWaalsContact O-CG 3.3Å; D4-P8 WeakPolarHBondContact O-CG 3.31Å; P8-T12 WeakPolarHBondContact O-CB 3.5Å; P8-T12 PolarHBondContact O-N 3.08Å; P8-T12 PolarHBondContact O-OG1 3.44Å
9L88.1Confident79.1Confident106 Ų106102.3 Ų102.356%0.55557%0.571SS**Hα-helixtrans-64.7-47.4173.4-17864.6000111.4A5 V7 V11 T12 V13A5-L9 VanDerWaalsContact O-CB 3.32Å; A5-L9 WeakPolarHBondContact O-CB 3.49Å; A5-L9 PolarHBondContact O-N 3.11Å; V7-L9 VanDerWaalsContact C-N 3.29Å; V7-L9 PolarHBondContact O-N 3.36Å; L9-V11 VanDerWaalsContact C-N 3.34Å; L9-V11 PolarHBondContact O-N 2.98Å; L9-T12 PolarHBondContact O-N 2.75Å; L9-V13 HydrophobicContact CD1-CG2 4.44Å; L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.37Å; L9-V13 PolarHBondContact O-N 3.38Å
10A85.7Confident79.2Confident61 Ų61100.7 Ų100.750%0.50456%0.563SS.*Hα-helixtrans-61.4-41.9177.600000111.9L6 V7 V13 A14L6-A10 VanDerWaalsContact O-CB 3.27Å; L6-A10 WeakPolarHBondContact O-CB 3.32Å; L6-A10 PolarHBondContact O-N 3.46Å; V7-A10 PolarHBondContact O-N 3.43Å; A10-V13 PolarHBondContact O-N 2.9Å; A10-A14 VanDerWaalsContact O-CB 3.31Å; A10-A14 WeakPolarHBondContact O-CB 3.5Å; A10-A14 PolarHBondContact O-N 2.88Å
11V87.8Confident79.2Confident77 Ų7796.5 Ų96.547%0.46754%0.54SS..Hα-helixtrans-63.1-45175.4171.90000111.1V7 L9 V13 A14 I15V7-V11 WeakPolarHBondContact O-CG2 3.49Å; V7-V11 PolarHBondContact O-N 3.1Å; L9-V11 VanDerWaalsContact C-N 3.34Å; L9-V11 PolarHBondContact O-N 2.98Å; V11-V13 PolarHBondContact O-N 2.92Å; V11-A14 PolarHBondContact O-N 3.36Å; V11-I15 HydrophobicContact CG1-CD1 3.79Å; V11-I15 HydrophobicContact CG1-CG1 4.44Å; V11-I15 VanDerWaalsContact O-CG1 3.31Å; V11-I15 WeakPolarHBondContact O-CG1 3.32Å; V11-I15 PolarHBondContact O-N 3.47Å
12T87.6Confident80.5Confident92 Ų9289.8 Ų89.856%0.56451%0.508SS*.Hα-helixtrans-63-43.9178.9-56.10000111.5P8 L9 I15 F16P8-T12 WeakPolarHBondContact O-CB 3.5Å; P8-T12 PolarHBondContact O-N 3.08Å; P8-T12 PolarHBondContact O-OG1 3.44Å; L9-T12 PolarHBondContact O-N 2.75Å; T12-I15 PolarHBondContact O-N 3.42Å; T12-F16 WeakPolarHBondContact O-CB 3.43Å; T12-F16 PolarHBondContact O-N 2.96Å
13V88.3Confident81.5Confident72 Ų7289 Ų8944%0.43651%0.506SS..Hα-helixtrans-63-43175.4171.40000110.9L9 A10 V11 F16 L17L9-V13 HydrophobicContact CD1-CG2 4.44Å; L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.37Å; L9-V13 PolarHBondContact O-N 3.38Å; A10-V13 PolarHBondContact O-N 2.9Å; V11-V13 PolarHBondContact O-N 2.92Å; V13-F16 PolarHBondContact O-N 3.29Å; V13-L17 HydrophobicContact CG1-CD1 3.91Å; V13-L17 HydrophobicContact CG1-CG 4.28Å; V13-L17 WeakPolarHBondContact O-CB 3.5Å; V13-L17 VanDerWaalsContact O-CG 3.27Å; V13-L17 WeakPolarHBondContact O-CG 3.47Å; V13-L17 PolarHBondContact O-N 3.18Å
14A85.3Confident82.2Confident57 Ų5786 Ų8647%0.47149%0.488SS..Hα-helixtrans-62.4-44.6177.700000112A10 V11 L17 L18A10-A14 VanDerWaalsContact O-CB 3.31Å; A10-A14 WeakPolarHBondContact O-CB 3.5Å; A10-A14 PolarHBondContact O-N 2.88Å; V11-A14 PolarHBondContact O-N 3.36Å; A14-L17 PolarHBondContact O-N 3.42Å; A14-L18 VanDerWaalsContact O-CB 3.31Å; A14-L18 WeakPolarHBondContact O-CB 3.36Å; A14-L18 PolarHBondContact O-N 3.43Å
15I86.6Confident82.4Confident94 Ų9480.3 Ų80.348%0.48246%0.457SS..Hα-helixtrans-62.7-45175.5-67.7167.8000110.4V11 T12 L17 L18 L19V11-I15 HydrophobicContact CG1-CD1 3.79Å; V11-I15 HydrophobicContact CG1-CG1 4.44Å; V11-I15 VanDerWaalsContact O-CG1 3.31Å; V11-I15 WeakPolarHBondContact O-CG1 3.32Å; V11-I15 PolarHBondContact O-N 3.47Å; T12-I15 PolarHBondContact O-N 3.42Å; I15-L17 PolarHBondContact O-N 2.93Å; I15-L18 PolarHBondContact O-N 3.12Å; I15-L19 HydrophobicContact CG2-CD1 3.94Å; I15-L19 HydrophobicContact CG2-CG 4.32Å; I15-L19 WeakPolarHBondContact O-CB 3.36Å; I15-L19 WeakPolarHBondContact O-CG 3.47Å; I15-L19 PolarHBondContact O-N 3.4Å
16F88.1Confident82.2Confident131 Ų13186.1 Ų86.158%0.57546%0.464SS*.Hα-helixtrans-59.1-48.1177.3176.3-99.9000111.8T12 V13 L18 L19 V20T12-F16 WeakPolarHBondContact O-CB 3.43Å; T12-F16 PolarHBondContact O-N 2.96Å; V13-F16 PolarHBondContact O-N 3.29Å; F16-L18 VanDerWaalsContact C-N 3.33Å; F16-L18 PolarHBondContact O-N 3.22Å; F16-L19 PolarHBondContact O-N 3.35Å; F16-V20 HydrophobicContact CD1-CG2 4.3Å; F16-V20 HydrophobicContact CD2-CG2 4.49Å; F16-V20 HydrophobicContact CE1-CG2 3.9Å; F16-V20 HydrophobicContact CE2-CG2 4.1Å; F16-V20 HydrophobicContact CZ-CG2 3.79Å; F16-V20 VanDerWaalsContact O-CG2 3.3Å; F16-V20 WeakPolarHBondContact O-CG2 3.46Å; F16-V20 PolarHBondContact O-N 3.38Å
17L85.6Confident81.4Confident105 Ų10589.4 Ų89.455%0.5548%0.477SS..Hα-helixtrans-62.1-40177-70.2174.3000111.9V13 A14 I15 V20 D21V13-L17 HydrophobicContact CG1-CD1 3.91Å; V13-L17 HydrophobicContact CG1-CG 4.28Å; V13-L17 WeakPolarHBondContact O-CB 3.5Å; V13-L17 VanDerWaalsContact O-CG 3.27Å; V13-L17 WeakPolarHBondContact O-CG 3.47Å; V13-L17 PolarHBondContact O-N 3.18Å; A14-L17 PolarHBondContact O-N 3.42Å; I15-L17 PolarHBondContact O-N 2.93Å; L17-V20 PolarHBondContact O-N 2.92Å; L17-D21 VanDerWaalsContact O-CB 3.29Å; L17-D21 WeakPolarHBondContact O-CB 3.39Å; L17-D21 PolarHBondContact O-N 3.07Å
18L84.7Confident80.5Confident89 Ų8986.8 Ų86.847%0.46646%0.457SS..Hα-helixtrans-66.9-39.6177.4-167.9146.2000111.8A14 I15 F16 D21 L22 P41A14-L18 VanDerWaalsContact O-CB 3.31Å; A14-L18 WeakPolarHBondContact O-CB 3.36Å; A14-L18 PolarHBondContact O-N 3.43Å; I15-L18 PolarHBondContact O-N 3.12Å; F16-L18 VanDerWaalsContact C-N 3.33Å; F16-L18 PolarHBondContact O-N 3.22Å; L18-D21 PolarHBondContact O-N 2.86Å; L18-L22 WeakPolarHBondContact O-CB 3.29Å; L18-L22 PolarHBondContact O-N 3.17Å; L18-P41 HydrophobicContact CD1-CB 4.15Å; L18-P41 HydrophobicContact CG-CB 4.43Å
19L82.4Confident79.6Confident89 Ų8990.6 Ų90.647%0.46646%0.463SS..Hα-helixtrans-66-43.7174.3-73.2172.8000111.7I15 F16 D21 L22 M23I15-L19 HydrophobicContact CG2-CD1 3.94Å; I15-L19 HydrophobicContact CG2-CG 4.32Å; I15-L19 WeakPolarHBondContact O-CB 3.36Å; I15-L19 WeakPolarHBondContact O-CG 3.47Å; I15-L19 PolarHBondContact O-N 3.4Å; F16-L19 PolarHBondContact O-N 3.35Å; L19-D21 VanDerWaalsContact C-N 3.32Å; L19-D21 PolarHBondContact O-N 2.91Å; L19-L22 PolarHBondContact O-N 3.41Å; L19-M23 WeakPolarHBondContact O-CB 3.43Å; L19-M23 VanDerWaalsContact O-CG 3.24Å; L19-M23 WeakPolarHBondContact O-CG 3.31Å; L19-M23 PolarHBondContact O-N 3.12Å
20V81.2Confident78.5Confident69 Ų6987.7 Ų87.742%0.41845%0.454SS..Hα-helixtrans-60.2-44.3174.9169.40000110.6F16 L17 M23 H24F16-V20 HydrophobicContact CD1-CG2 4.3Å; F16-V20 HydrophobicContact CD2-CG2 4.49Å; F16-V20 HydrophobicContact CE1-CG2 3.9Å; F16-V20 HydrophobicContact CE2-CG2 4.1Å; F16-V20 HydrophobicContact CZ-CG2 3.79Å; F16-V20 VanDerWaalsContact O-CG2 3.3Å; F16-V20 WeakPolarHBondContact O-CG2 3.46Å; F16-V20 PolarHBondContact O-N 3.38Å; L17-V20 PolarHBondContact O-N 2.92Å; V20-M23 PolarHBondContact O-N 3.41Å; V20-H24 WeakPolarHBondContact O-CB 3.3Å; V20-H24 PolarHBondContact O-N 3.06Å
21D79.3Confident77.7Confident14 Ų1490 Ų908%0.07547%0.473CS..Hα-helixtrans-62.4-46176.8-17561.6000111.9L17 L18 L19 M23 H24 R25 G42L17-D21 VanDerWaalsContact O-CB 3.29Å; L17-D21 WeakPolarHBondContact O-CB 3.39Å; L17-D21 PolarHBondContact O-N 3.07Å; L18-D21 PolarHBondContact O-N 2.86Å; L19-D21 VanDerWaalsContact C-N 3.32Å; L19-D21 PolarHBondContact O-N 2.91Å; D21-M23 PolarHBondContact O-N 2.67Å; D21-H24 PolarHBondContact O-N 3.17Å; D21-R25 WeakPolarHBondContact O-CB 3.49Å; D21-R25 VanDerWaalsContact O-CG 3.25Å; D21-R25 WeakPolarHBondContact O-CG 3.46Å; D21-R25 PolarHBondContact O-N 2.99Å; D21-R25 IonicContact OD1-CZ 2.73Å; D21-R25 IonicContact OD1-NE 3.06Å; D21-R25 PolarHBondContact OD1-NE 3.25Å; D21-R25 IonicContact OD1-NH2 3.58Å; D21-R25 PolarHBondContact OD1-NH2 2.88Å; D21-R25 IonicContact OD2-CZ 2.77Å; D21-R25 IonicContact OD2-NE 3.31Å; D21-R25 PolarHBondContact OD2-NE 2.86Å; D21-R25 IonicContact OD2-NH2 3.99Å; D21-R25 PolarHBondContact OD2-NH2 3.32Å; D21-G42 PolarHBondContact OD2-N 2.96Å
22L78.4Confident77.7Confident81 Ų8191.9 Ų91.942%0.42447%0.472SS..Hα-helixtrans-62.1-43.9176.5-162.391.3000111.6L18 L19 R25 R26 W29L18-L22 WeakPolarHBondContact O-CB 3.29Å; L18-L22 PolarHBondContact O-N 3.17Å; L19-L22 PolarHBondContact O-N 3.41Å; L22-R25 PolarHBondContact O-N 3.31Å; L22-R26 WeakPolarHBondContact O-CB 3.23Å; L22-R26 PolarHBondContact O-N 3.05Å; L22-W29 HydrophobicContact CD1-CH2 3.79Å; L22-W29 HydrophobicContact CD1-CZ3 4.48Å; L22-W29 HydrophobicContact CG-CH2 4.33Å
23M73.7Confident77.9Confident137 Ų13789.1 Ų89.168%0.67545%0.451SS*.Hα-helixtrans-64.2-42177.1-75.3-179.866.800111.8L19 V20 D21 R25 R26L19-M23 WeakPolarHBondContact O-CB 3.43Å; L19-M23 VanDerWaalsContact O-CG 3.24Å; L19-M23 WeakPolarHBondContact O-CG 3.31Å; L19-M23 PolarHBondContact O-N 3.12Å; V20-M23 PolarHBondContact O-N 3.41Å; D21-M23 PolarHBondContact O-N 2.67Å; M23-R25 VanDerWaalsContact C-N 3.28Å; M23-R25 PolarHBondContact O-N 2.88Å; M23-R26 PolarHBondContact O-N 3.32Å
24H73.3Confident78.2Confident80 Ų8085.8 Ų85.837%0.3743%0.431SS..Hα-helixtrans-62.4-37.2176.4-170.273.7000111.8V20 D21 R28V20-H24 WeakPolarHBondContact O-CB 3.3Å; V20-H24 PolarHBondContact O-N 3.06Å; D21-H24 PolarHBondContact O-N 3.17Å; H24-R28 PolarHBondContact NE2-NH2 2.88Å
25R74.2Confident78.7Confident11 Ų1185.3 Ų85.34%0.04242%0.423CS..Hα-helixtrans-79.7-26.8179.2-67170.7-163.8-108.1-6113.4D21 L22 M23 Q27 R28 G42 A74D21-R25 WeakPolarHBondContact O-CB 3.49Å; D21-R25 VanDerWaalsContact O-CG 3.25Å; D21-R25 WeakPolarHBondContact O-CG 3.46Å; D21-R25 PolarHBondContact O-N 2.99Å; D21-R25 IonicContact OD1-CZ 2.73Å; D21-R25 IonicContact OD1-NE 3.06Å; D21-R25 PolarHBondContact OD1-NE 3.25Å; D21-R25 IonicContact OD1-NH2 3.58Å; D21-R25 PolarHBondContact OD1-NH2 2.88Å; D21-R25 IonicContact OD2-CZ 2.77Å; D21-R25 IonicContact OD2-NE 3.31Å; D21-R25 PolarHBondContact OD2-NE 2.86Å; D21-R25 IonicContact OD2-NH2 3.99Å; D21-R25 PolarHBondContact OD2-NH2 3.32Å; L22-R25 PolarHBondContact O-N 3.31Å; M23-R25 VanDerWaalsContact C-N 3.28Å; M23-R25 PolarHBondContact O-N 2.88Å; R25-Q27 VanDerWaalsContact C-N 3.29Å; R25-Q27 PolarHBondContact O-N 3.47Å; R25-R28 WeakPolarHBondContact O-CA 3.41Å; R25-R28 WeakPolarHBondContact O-CB 3.35Å; R25-R28 PolarHBondContact O-N 3.11Å; R25-G42 PolarHBondContact NH2-O 3.04Å; R25-A74 PolarHBondContact NH2-O 3.02Å
26R68.6Low79.1Confident190 Ų19081.9 Ų81.972%0.71741%0.411SS*.Hα-helixtrans-56.9-36.2-176.2-173.6179.1176.8-176.3-0.3113.8L22 M23 R28 W29L22-R26 WeakPolarHBondContact O-CB 3.23Å; L22-R26 PolarHBondContact O-N 3.05Å; M23-R26 PolarHBondContact O-N 3.32Å; R26-R28 PolarHBondContact O-N 2.9Å; R26-R28 VanDerWaalsContact O-N 3.11Å; R26-W29 PolarHBondContact O-N 2.8Å; R26-W29 VanDerWaalsContact O-N 3.14Å
27Q60.7Low79.3Confident160 Ų16076.4 Ų76.475%0.74839%0.389SS*.THydrogen-bonded Turntrans-59.6-22.3176.3-74-173.3-23.300112.8R25R25-Q27 VanDerWaalsContact C-N 3.29Å; R25-Q27 PolarHBondContact O-N 3.47Å
28R66.4Low79.5Confident40 Ų4078.3 Ų78.315%0.15140%0.399CS..THydrogen-bonded Turntrans-104.59.3-175.8-53.1178.8-172.2140.47.6112.4H24 R25 R26 A30 Y33 Q72H24-R28 PolarHBondContact NE2-NH2 2.88Å; R25-R28 WeakPolarHBondContact O-CA 3.41Å; R25-R28 WeakPolarHBondContact O-CB 3.35Å; R25-R28 PolarHBondContact O-N 3.11Å; R26-R28 PolarHBondContact O-N 2.9Å; R26-R28 VanDerWaalsContact O-N 3.11Å; R28-A30 VanDerWaalsContact C-N 3.31Å; R28-Y33 HydrophobicContact CB-CD1 4.48Å; R28-Y33 HydrophobicContact CB-CE1 4.27Å; R28-Y33 HydrophobicContact CB-CE2 4.44Å; R28-Y33 WeakPolarHBondContact O-CB 3.41Å; R28-Y33 WeakPolarHBondContact O-CD1 3.32Å; R28-Q72 VanDerWaalsContact NH1-OE1 3.08Å
29W65.4Low79.7Confident148 Ų14875.7 Ų75.756%0.56139%0.387SS*.  trans-97.623.2165.5-63.9-14.9000111.9L22 R26L22-W29 HydrophobicContact CD1-CH2 3.79Å; L22-W29 HydrophobicContact CD1-CZ3 4.48Å; L22-W29 HydrophobicContact CG-CH2 4.33Å; R26-W29 PolarHBondContact O-N 2.8Å; R26-W29 VanDerWaalsContact O-N 3.14Å
30A65.6Low79.8Confident44 Ų4474.7 Ų74.736%0.36438%0.382SS..  trans-55146.317300000109.9R28 R32 Y33R28-A30 VanDerWaalsContact C-N 3.31Å; A30-R32 PolarHBondContact O-N 3.03Å; A30-Y33 PolarHBondContact O-N 3.01Å
31A69Low79.9Confident111 Ų11175.5 Ų75.592%0.91739%0.389SS*.THydrogen-bonded Turntrans-59.1-1.8-171.900000115.6
32R88.6Confident80Confident116 Ų11676.4 Ų76.444%0.43840%0.401SS..THydrogen-bonded Turntrans-13614.5-178.9-59.2179.264.9-163.93.4113.5A30 E383 G386 F387 L388A30-R32 PolarHBondContact O-N 3.03Å; R32-E383 IonicContact CZ-OE1 2.75Å; R32-E383 IonicContact CZ-OE2 2.8Å; R32-E383 IonicContact NH1-OE1 2.69Å; R32-E383 IonicContact NH1-OE2 3.85Å; R32-E383 PolarHBondContact NH1-OE2 3.06Å; R32-E383 IonicContact NH2-OE1 3.37Å; R32-E383 PolarHBondContact NH2-OE1 2.8Å; R32-E383 IonicContact NH2-OE2 2.84Å; R32-E383 PolarHBondContact NH2-OE2 2.96Å; R32-G386 PolarHBondContact NE-O 2.88Å; R32-G386 PolarHBondContact NH2-O 2.85Å; R32-F387 CarbonylContact O-C 3.28Å; R32-F387 VanDerWaalsContact O-CA 3.25Å; R32-F387 WeakPolarHBondContact O-CA 3.41Å; R32-F387 WeakPolarHBondContact O-CB 3.45Å; R32-L388 HydrophobicContact CB-CB 4.27Å; R32-L388 PolarHBondContact O-N 3.3Å
33Y90.9Very high80.1Confident33 Ų3376.5 Ų76.513%0.12940%0.401CS..SBendtrans-69.5146.6175.3-167.2-110.8000110.4R28 A30 S70 V79 L388 P390R28-Y33 HydrophobicContact CB-CD1 4.48Å; R28-Y33 HydrophobicContact CB-CE1 4.27Å; R28-Y33 HydrophobicContact CB-CE2 4.44Å; R28-Y33 WeakPolarHBondContact O-CB 3.41Å; R28-Y33 WeakPolarHBondContact O-CD1 3.32Å; A30-Y33 PolarHBondContact O-N 3.01Å; Y33-S70 WeakPolarHBondContact CE1-OG 3.2Å; Y33-V79 HydrophobicContact CE2-CG2 4.47Å; Y33-L388 WeakPolarHBondContact CD2-O 3.36Å; Y33-P390 HydrophobicContact CD2-CG 4.27Å; Y33-P390 HydrophobicContact CE2-CG 4.21Å
34P95.3Very high80.8Confident3 Ų370 Ų702%0.01937%0.369CS..PPolyproline II helixtrans-56.3140.6-177.9-26.534.4000113V68 S70 V79 F387 I389P34-V68 HydrophobicContact CB-CG1 4.11Å; P34-V68 HydrophobicContact CG-CG1 3.98Å; P34-S70 WeakPolarHBondContact O-CB 3.29Å; P34-S70 PolarHBondContact O-OG 3.29Å; P34-V79 HydrophobicContact CG-CG1 4.31Å; P34-V79 HydrophobicContact CG-CG2 4.02Å; P34-F387 HydrophobicContact CB-CG 4.3Å; P34-F387 HydrophobicContact CG-CB 3.78Å; P34-F387 HydrophobicContact CG-CG 4.09Å; P34-I389 HydrophobicContact CG-CG1 4.36Å
35P95.1Very high81.6Confident46 Ų4666.3 Ų66.330%0.29935%0.353SS..PPolyproline II helixtrans-63.7159.3178.530.3-37.2000111F65 F69 S70 F387P35-F65 HydrophobicContact CB-CB 4.42Å; P35-F65 HydrophobicContact CB-CD1 4.16Å; P35-F65 HydrophobicContact CG-CB 4.21Å; P35-F65 VanDerWaalsContact CG-O 3.23Å; P35-F65 WeakPolarHBondContact CG-O 3.2Å; P35-F69 CarbonylContact O-C 3.48Å; P35-F69 WeakPolarHBondContact O-CA 3.48Å; P35-F69 VanDerWaalsContact O-CB 3.3Å; P35-F69 WeakPolarHBondContact O-CB 3.31Å; P35-S70 PolarHBondContact O-N 3.33Å; P35-F387 VanDerWaalsContact CD-CE1 3.47Å; P35-F387 HydrophobicContact CG-CE1 4.49Å; P35-F387 HydrophobicContact CG-CZ 4.26Å
36G94.5Very high82.2Confident23 Ų2368.4 Ų68.424%0.23736%0.364CS..  trans-175.3173.1178.500000112.7
37P93.4Very high83.1Confident16 Ų1665.4 Ų65.410%0.10436%0.362CS..PPolyproline II helixtrans-61.8142.2174.324-30000110.9P39 N45 H48 L61 F65 L71P37-P39 WeakPolarHBondContact O-CD 3.39Å; P37-N45 PolarHBondContact O-ND2 2.81Å; P37-H48 HydrophobicContact CB-CB 4.45Å; P37-H48 HydrophobicContact CG-CB 4.44Å; P37-L61 HydrophobicContact CG-CD2 4.18Å; P37-F65 HydrophobicContact CB-CE2 4.37Å; P37-F65 HydrophobicContact CB-CZ 4.34Å; P37-F65 HydrophobicContact CG-CE2 4.48Å; P37-L71 HydrophobicContact CG-CD2 3.57Å
38L88.8Confident84.4Confident145 Ų14561.6 Ų61.676%0.75934%0.344SS*.PPolyproline II helixtrans-59.8120.5179.8-172.772.4000110H48L38-H48 PolarHBondContact O-CE1 3.06Å
39P88.3Confident85.5Confident34 Ų3460.1 Ų60.122%0.22134%0.339CS..PPolyproline II helixtrans-72.7139.2-17827.9-33.5000111.5P37 Q72P37-P39 WeakPolarHBondContact O-CD 3.39Å; P39-Q72 HydrophobicContact CB-CB 4.32Å
40L86.3Confident86.6Confident68 Ų6856.9 Ų56.936%0.35633%0.333SS..BIsolated β-bridgetrans-74.1149.7169.6-61.6175.7000110.8G42 G44 L47L40-G42 PolarHBondContact O-N 3.16Å; L40-G44 WeakPolarHBondContact CB-O 3.32Å; L40-G44 PolarHBondContact N-O 3.04Å; L40-G44 VanDerWaalsContact O-CA 3.24Å; L40-G44 WeakPolarHBondContact O-CA 3.44Å; L40-G44 PolarHBondContact O-N 2.92Å; L40-L47 HydrophobicContact CD1-CB 4.25Å; L40-L47 HydrophobicContact CD1-CD1 3.74Å; L40-L47 HydrophobicContact CD1-CG 4.22Å
41P82.9Confident87.5Confident86 Ų8659.8 Ų59.856%0.55834%0.338SS*.THydrogen-bonded Turntrans-55.5132.5171.7-24.134000111.7L18 L43L18-P41 HydrophobicContact CD1-CB 4.15Å; L18-P41 HydrophobicContact CG-CB 4.43Å; P41-L43 PolarHBondContact O-N 2.84Å
42G79.8Confident88.1Confident32 Ų3263.2 Ų63.233%0.3333%0.332SS..THydrogen-bonded Turntrans73-58.3-179.300000114.4D21 R25 L40D21-G42 PolarHBondContact OD2-N 2.96Å; R25-G42 PolarHBondContact NH2-O 3.04Å; L40-G42 PolarHBondContact O-N 3.16Å
43L81.8Confident88Confident83 Ų8361.1 Ų61.144%0.43533%0.329SS..THydrogen-bonded Turntrans-75.7-24.5-175.7-61.5179.6000113.6P41 N45 L46 L47 A74P41-L43 PolarHBondContact O-N 2.84Å; L43-N45 PolarHBondContact O-N 3.08Å; L43-L46 HydrophobicContact CD2-CD1 4.36Å; L43-L46 VanDerWaalsContact O-CG 3.27Å; L43-L46 WeakPolarHBondContact O-CG 3.43Å; L43-L46 PolarHBondContact O-N 3.4Å; L43-L47 HydrophobicContact CD1-CD1 4.05Å; L43-L47 HydrophobicContact CD1-CG 4.19Å; L43-A74 PolarHBondContact O-N 3.11Å
44G87.8Confident88.1Confident0 Ų060 Ų600%033%0.326CS..BIsolated β-bridgetrans60.3-123.9-170.400000112.9L40 Q72L40-G44 WeakPolarHBondContact CB-O 3.32Å; L40-G44 PolarHBondContact N-O 3.04Å; L40-G44 VanDerWaalsContact O-CA 3.24Å; L40-G44 WeakPolarHBondContact O-CA 3.44Å; L40-G44 PolarHBondContact O-N 2.92Å; G44-Q72 CarbonylContact C-O 3.59Å; G44-Q72 VanDerWaalsContact CA-O 3.32Å; G44-Q72 WeakPolarHBondContact CA-O 3.33Å
45N90.2Very high87.9Confident4 Ų460.9 Ų60.92%0.02133%0.331CS..THydrogen-bonded Turntrans-99.912.6-176.2-56.9110.5000113.6P37 L43 L47 H48 V49 L71 Q72P37-N45 PolarHBondContact O-ND2 2.81Å; L43-N45 PolarHBondContact O-N 3.08Å; N45-L47 PolarHBondContact O-N 2.95Å; N45-H48 HydrophobicContact CB-CB 4.23Å; N45-H48 WeakPolarHBondContact O-CA 3.34Å; N45-H48 WeakPolarHBondContact O-CB 3.28Å; N45-H48 PolarHBondContact O-N 3.42Å; N45-V49 PolarHBondContact O-N 3.02Å; N45-L71 HydrophobicContact CB-CB 4.44Å; N45-L71 HydrophobicContact CB-CD2 3.8Å; N45-L71 WeakPolarHBondContact OD1-CA 3.39Å; N45-Q72 PolarHBondContact N-O 2.99Å; N45-Q72 PolarHBondContact OD1-N 3.38Å
46L86.7Confident87.8Confident55 Ų5565 Ų6529%0.28834%0.342SS..G310 helixtrans-55-36.7178.1-72.5174.5000113.4L43 H48 F51 L73 A74L43-L46 HydrophobicContact CD2-CD1 4.36Å; L43-L46 VanDerWaalsContact O-CG 3.27Å; L43-L46 WeakPolarHBondContact O-CG 3.43Å; L43-L46 PolarHBondContact O-N 3.4Å; L46-H48 VanDerWaalsContact C-N 3.32Å; L46-F51 HydrophobicContact CD2-CE2 4.07Å; L46-F51 HydrophobicContact CD2-CZ 3.81Å; L46-L73 HydrophobicContact CD2-CB 4.29Å; L46-L73 HydrophobicContact CD2-CD2 4.35Å; L46-A74 HydrophobicContact CD1-CB 4.13Å
47L87.3Confident87.8Confident127 Ų12764.4 Ų64.467%0.66533%0.334SS*.G310 helixtrans-83-8.3177.6-57.2-172.4000113.9L40 L43 N45L40-L47 HydrophobicContact CD1-CB 4.25Å; L40-L47 HydrophobicContact CD1-CD1 3.74Å; L40-L47 HydrophobicContact CD1-CG 4.22Å; L43-L47 HydrophobicContact CD1-CD1 4.05Å; L43-L47 HydrophobicContact CD1-CG 4.19Å; N45-L47 PolarHBondContact O-N 2.95Å
48H88.8Confident87.9Confident79 Ų7963.9 Ų63.937%0.36633%0.33SS..G310 helixtrans-95.4-8.2179.1-62.497.6000112.4P37 L38 N45 L46P37-H48 HydrophobicContact CB-CB 4.45Å; P37-H48 HydrophobicContact CG-CB 4.44Å; L38-H48 PolarHBondContact O-CE1 3.06Å; N45-H48 HydrophobicContact CB-CB 4.23Å; N45-H48 WeakPolarHBondContact O-CA 3.34Å; N45-H48 WeakPolarHBondContact O-CB 3.28Å; N45-H48 PolarHBondContact O-N 3.42Å; L46-H48 VanDerWaalsContact C-N 3.32Å
49V88.9Confident88.3Confident10 Ų1059.1 Ų59.16%0.06131%0.306CS..SBendtrans-112.4124.6-177.4178.80000109.6N45 F51 T54 F58 L71 L73N45-V49 PolarHBondContact O-N 3.02Å; V49-F51 HydrophobicContact CB-CE1 4.5Å; V49-F51 HydrophobicContact CB-CE2 4.13Å; V49-F51 HydrophobicContact CB-CZ 4.07Å; V49-F51 HydrophobicContact CG1-CD1 4.14Å; V49-F51 HydrophobicContact CG1-CD2 4.47Å; V49-F51 HydrophobicContact CG1-CE1 3.95Å; V49-F51 HydrophobicContact CG1-CE2 4.29Å; V49-F51 HydrophobicContact CG1-CG 4.4Å; V49-F51 HydrophobicContact CG1-CZ 4.02Å; V49-F51 WeakPolarHBondContact O-CD2 3.47Å; V49-F51 PolarHBondContact O-N 3.42Å; V49-T54 HydrophobicContact CG1-CG2 4.25Å; V49-F58 HydrophobicContact CG1-CE1 4.12Å; V49-F58 HydrophobicContact CG2-CE1 4.49Å; V49-L71 HydrophobicContact CG2-CD1 3.9Å; V49-L71 HydrophobicContact CG2-CD2 4.22Å; V49-L73 HydrophobicContact CG2-CD2 4.3Å
50D88.1Confident88.7Confident80 Ų8062.2 Ų62.243%0.42832%0.317SS..  trans-83.298.7168.7178.515.1000110.2K52 N53 T54 C57D50-K52 PolarHBondContact O-N 3.09Å; D50-K52 WeakPolarHBondContact OD1-CB 3.19Å; D50-K52 PolarHBondContact OD1-N 2.74Å; D50-N53 CarbonylContact O-C 3.54Å; D50-N53 VanDerWaalsContact O-C 3.23Å; D50-N53 PolarHBondContact O-N 3.19Å; D50-T54 VanDerWaalsContact O-CA 3.3Å; D50-T54 WeakPolarHBondContact O-CA 3.37Å; D50-T54 PolarHBondContact O-N 3.03Å; D50-T54 PolarHBondContact O-OG1 3.04Å; D50-C57 HydrophobicContact CB-CB 4.29Å
51F84.5Confident89.2Confident105 Ų10559.7 Ų59.746%0.46130%0.304SS..THydrogen-bonded Turntrans-69.1-13.4179.2-67-77.3000114.3L46 V49 T54 L73L46-F51 HydrophobicContact CD2-CE2 4.07Å; L46-F51 HydrophobicContact CD2-CZ 3.81Å; V49-F51 HydrophobicContact CB-CE1 4.5Å; V49-F51 HydrophobicContact CB-CE2 4.13Å; V49-F51 HydrophobicContact CB-CZ 4.07Å; V49-F51 HydrophobicContact CG1-CD1 4.14Å; V49-F51 HydrophobicContact CG1-CD2 4.47Å; V49-F51 HydrophobicContact CG1-CE1 3.95Å; V49-F51 HydrophobicContact CG1-CE2 4.29Å; V49-F51 HydrophobicContact CG1-CG 4.4Å; V49-F51 HydrophobicContact CG1-CZ 4.02Å; V49-F51 WeakPolarHBondContact O-CD2 3.47Å; V49-F51 PolarHBondContact O-N 3.42Å; F51-T54 WeakPolarHBondContact CA-OG1 3.41Å; F51-L73 HydrophobicContact CZ-CD2 4.32Å
52K83.2Confident89.9Confident183 Ų18357.5 Ų57.580%0.79629%0.285SS*.THydrogen-bonded Turntrans-78.2-26.6174.9-63.8-176.9179179.50111.9D50 F481D50-K52 PolarHBondContact O-N 3.09Å; D50-K52 WeakPolarHBondContact OD1-CB 3.19Å; D50-K52 PolarHBondContact OD1-N 2.74Å; K52-F481 WeakPolarHBondContact O-CD1 3.43Å
53N85.5Confident90.6Very high71 Ų7164.4 Ų64.438%0.3830%0.301SS..SBendtrans-143.160.1177-164.5-7.3000110.7D50 P55 Y56 C57D50-N53 CarbonylContact O-C 3.54Å; D50-N53 VanDerWaalsContact O-C 3.23Å; D50-N53 PolarHBondContact O-N 3.19Å; N53-P55 VanDerWaalsContact C-CD 3.41Å; N53-P55 VanDerWaalsContact C-N 3.34Å; N53-Y56 PolarHBondContact O-N 3.36Å; N53-Y56 VanDerWaalsContact O-N 3.17Å; N53-Y56 WeakPolarHBondContact OD1-CB 3.46Å; N53-C57 PolarHBondContact O-N 2.6Å; N53-C57 VanDerWaalsContact O-N 3.1Å
54T92.3Very high91.4Very high10 Ų1069.7 Ų69.76%0.06132%0.315CS..Hα-helixtrans-55.5-40.3-177.3-470000113.3V49 D50 F51 Y56 C57 F58 L372 F481V49-T54 HydrophobicContact CG1-CG2 4.25Å; D50-T54 VanDerWaalsContact O-CA 3.3Å; D50-T54 WeakPolarHBondContact O-CA 3.37Å; D50-T54 PolarHBondContact O-N 3.03Å; D50-T54 PolarHBondContact O-OG1 3.04Å; F51-T54 WeakPolarHBondContact CA-OG1 3.41Å; T54-Y56 VanDerWaalsContact C-N 3.33Å; T54-Y56 PolarHBondContact O-N 2.87Å; T54-C57 PolarHBondContact O-N 2.83Å; T54-F58 HydrophobicContact CG2-CD1 3.84Å; T54-F58 HydrophobicContact CG2-CD2 4.19Å; T54-F58 HydrophobicContact CG2-CE1 3.52Å; T54-F58 HydrophobicContact CG2-CE2 3.89Å; T54-F58 HydrophobicContact CG2-CG 4.18Å; T54-F58 HydrophobicContact CG2-CZ 3.55Å; T54-F58 WeakPolarHBondContact O-CB 3.33Å; T54-F58 WeakPolarHBondContact O-CG 3.39Å; T54-F58 PolarHBondContact O-N 3.04Å; T54-L372 HydrophobicContact CG2-CD1 3.55Å; T54-F481 WeakPolarHBondContact OG1-CE1 3.49Å
55P91.8Very high91.8Very high21 Ų2171.8 Ų71.814%0.13632%0.324CS..Hα-helixtrans-59.4-42.2178.3-25.436.4000112.8N53 F58 D59 P371 F481N53-P55 VanDerWaalsContact C-CD 3.41Å; N53-P55 VanDerWaalsContact C-N 3.34Å; P55-F58 PolarHBondContact O-N 2.85Å; P55-D59 PolarHBondContact O-N 3.04Å; P55-P371 HydrophobicContact CB-CB 4.42Å; P55-P371 HydrophobicContact CG-CB 3.9Å; P55-P371 HydrophobicContact CG-CG 3.88Å; P55-F481 VanDerWaalsContact CD-CE2 3.44Å; P55-F481 HydrophobicContact CG-CD2 3.59Å; P55-F481 HydrophobicContact CG-CE2 3.52Å; P55-F481 HydrophobicContact CG-CG 4.4Å; P55-F481 HydrophobicContact CG-CZ 4.26Å
56Y92.4Very high92.2Very high133 Ų13373.2 Ų73.252%0.52234%0.34SS..Hα-helixtrans-67-43.4176.5178.6-102.8000112.1N53 T54 F58 D59 Q60N53-Y56 PolarHBondContact O-N 3.36Å; N53-Y56 VanDerWaalsContact O-N 3.17Å; N53-Y56 WeakPolarHBondContact OD1-CB 3.46Å; T54-Y56 VanDerWaalsContact C-N 3.33Å; T54-Y56 PolarHBondContact O-N 2.87Å; Y56-F58 VanDerWaalsContact C-N 3.3Å; Y56-F58 PolarHBondContact O-N 3.46Å; Y56-D59 WeakPolarHBondContact O-CB 3.36Å; Y56-D59 PolarHBondContact O-N 3.25Å; Y56-Q60 HydrophobicContact CE1-CG 4.28Å; Y56-Q60 PolarHBondContact O-N 3.48Å; Y56-Q60 VanDerWaalsContact O-N 3.12Å; Y56-Q60 PolarHBondContact OH-NE2 3.21Å
57C95.1Very high92.7Very high11 Ų1173.8 Ų73.87%0.07434%0.343CS..Hα-helixtrans-59-42.7174.8-179.10000111.5D50 N53 T54 Q60 L61D50-C57 HydrophobicContact CB-CB 4.29Å; N53-C57 PolarHBondContact O-N 2.6Å; N53-C57 VanDerWaalsContact O-N 3.1Å; T54-C57 PolarHBondContact O-N 2.83Å; C57-Q60 PolarHBondContact O-N 3Å; C57-L61 WeakPolarHBondContact O-CG 3.24Å; C57-L61 PolarHBondContact O-N 3.19Å
58F96.6Very high93.2Very high4 Ų467.9 Ų67.92%0.01831%0.312CS..Hα-helixtrans-68.7-32.8178.4-76.611.7000112.5V49 T54 P55 Y56 L61 R62 F69 L71 V80 L372 F396V49-F58 HydrophobicContact CG1-CE1 4.12Å; V49-F58 HydrophobicContact CG2-CE1 4.49Å; T54-F58 HydrophobicContact CG2-CD1 3.84Å; T54-F58 HydrophobicContact CG2-CD2 4.19Å; T54-F58 HydrophobicContact CG2-CE1 3.52Å; T54-F58 HydrophobicContact CG2-CE2 3.89Å; T54-F58 HydrophobicContact CG2-CG 4.18Å; T54-F58 HydrophobicContact CG2-CZ 3.55Å; T54-F58 WeakPolarHBondContact O-CB 3.33Å; T54-F58 WeakPolarHBondContact O-CG 3.39Å; T54-F58 PolarHBondContact O-N 3.04Å; P55-F58 PolarHBondContact O-N 2.85Å; Y56-F58 VanDerWaalsContact C-N 3.3Å; Y56-F58 PolarHBondContact O-N 3.46Å; F58-L61 HydrophobicContact CD1-CD1 4.15Å; F58-L61 PolarHBondContact O-N 2.96Å; F58-R62 WeakPolarHBondContact O-CB 3.11Å; F58-R62 PolarHBondContact O-N 2.94Å; F58-F69 HydrophobicContact CB-CZ 4.2Å; F58-F69 HydrophobicContact CD1-CZ 4.21Å; F58-F69 HydrophobicContact CG-CZ 4.07Å; F58-L71 HydrophobicContact CE1-CD1 3.64Å; F58-L71 HydrophobicContact CZ-CD1 3.92Å; F58-V80 HydrophobicContact CD2-CG1 3.6Å; F58-V80 HydrophobicContact CD2-CG2 4.09Å; F58-V80 HydrophobicContact CE1-CG2 4.47Å; F58-V80 HydrophobicContact CE2-CB 4.45Å; F58-V80 HydrophobicContact CE2-CG1 3.88Å; F58-V80 HydrophobicContact CE2-CG2 3.64Å; F58-V80 HydrophobicContact CG-CG1 4.34Å; F58-V80 HydrophobicContact CZ-CG2 3.86Å; F58-L372 HydrophobicContact CD2-CD2 3.59Å; F58-L372 HydrophobicContact CE2-CD1 4.14Å; F58-L372 HydrophobicContact CE2-CD2 3.89Å; F58-F396 HydrophobicContact CE2-CB 4.47Å; F58-F396 HydrophobicContact CE2-CD1 4.25Å; F58-F396 HydrophobicContact CE2-CG 4.47Å
59D95.4Very high93.6Very high46 Ų4664.1 Ų64.125%0.24630%0.295CS..Hα-helixtrans-62-44.3170.7-175.662.7000111.7P55 Y56 L61 R62 R63P55-D59 PolarHBondContact O-N 3.04Å; Y56-D59 WeakPolarHBondContact O-CB 3.36Å; Y56-D59 PolarHBondContact O-N 3.25Å; D59-L61 VanDerWaalsContact C-N 3.33Å; D59-L61 PolarHBondContact O-N 3.31Å; D59-R62 WeakPolarHBondContact O-CB 3.4Å; D59-R62 PolarHBondContact O-N 2.83Å; D59-R63 WeakPolarHBondContact O-CG 3.46Å; D59-R63 PolarHBondContact O-N 2.9Å; D59-R63 IonicContact OD1-NE 3.45Å; D59-R63 IonicContact OD2-CZ 3.72Å; D59-R63 IonicContact OD2-NE 3.19Å; D59-R63 PolarHBondContact OD2-NE 2.78Å; D59-R63 IonicContact OD2-NH2 3Å; D59-R63 PolarHBondContact OD2-NH2 3.49Å
60Q96.6Very high94Very high98 Ų9864.4 Ų64.446%0.45830%0.298SS..Hα-helixtrans-61.9-41.1175-66.5-172.2-6.900112.3Y56 C57 R63 R64Y56-Q60 HydrophobicContact CE1-CG 4.28Å; Y56-Q60 PolarHBondContact O-N 3.48Å; Y56-Q60 VanDerWaalsContact O-N 3.12Å; Y56-Q60 PolarHBondContact OH-NE2 3.21Å; C57-Q60 PolarHBondContact O-N 3Å; Q60-R63 PolarHBondContact O-N 2.94Å; Q60-R64 PolarHBondContact O-N 3.46Å
61L97.3Very high94.3Very high16 Ų1660.8 Ų60.88%0.08428%0.278CS..Hα-helixtrans-67-40.8176.3-68.5173.5000111.7P37 C57 F58 D59 R63 R64 F65 F69 L71P37-L61 HydrophobicContact CG-CD2 4.18Å; C57-L61 WeakPolarHBondContact O-CG 3.24Å; C57-L61 PolarHBondContact O-N 3.19Å; F58-L61 HydrophobicContact CD1-CD1 4.15Å; F58-L61 PolarHBondContact O-N 2.96Å; D59-L61 VanDerWaalsContact C-N 3.33Å; D59-L61 PolarHBondContact O-N 3.31Å; L61-R63 PolarHBondContact O-N 2.75Å; L61-R64 PolarHBondContact O-N 3.42Å; L61-R64 VanDerWaalsContact O-N 3.11Å; L61-F65 HydrophobicContact CB-CD2 4.39Å; L61-F65 HydrophobicContact CD2-CD2 3.93Å; L61-F65 HydrophobicContact CD2-CE2 3.67Å; L61-F65 WeakPolarHBondContact O-CD2 3.3Å; L61-F65 PolarHBondContact O-N 2.94Å; L61-F69 HydrophobicContact CB-CD1 4.32Å; L61-F69 HydrophobicContact CB-CD2 4.25Å; L61-F69 HydrophobicContact CB-CE1 3.86Å; L61-F69 HydrophobicContact CB-CE2 3.8Å; L61-F69 HydrophobicContact CB-CZ 3.58Å; L61-F69 HydrophobicContact CD1-CD2 4.44Å; L61-F69 HydrophobicContact CD1-CE2 3.65Å; L61-F69 HydrophobicContact CD1-CZ 3.97Å; L61-F69 HydrophobicContact CG-CE2 4.37Å; L61-F69 HydrophobicContact CG-CZ 4.45Å; L61-L71 HydrophobicContact CD1-CD1 4.38Å; L61-L71 HydrophobicContact CD1-CD2 4.08Å
62R97.3Very high94.6Very high40 Ų4056.5 Ų56.515%0.15126%0.259CS..Hα-helixtrans-56.7-48.3173.9-177.7-168.4-178.8-176.21.1110.7F58 D59 R64 G66 D67 F69 N82 S401 D405F58-R62 WeakPolarHBondContact O-CB 3.11Å; F58-R62 PolarHBondContact O-N 2.94Å; D59-R62 WeakPolarHBondContact O-CB 3.4Å; D59-R62 PolarHBondContact O-N 2.83Å; R62-R64 PolarHBondContact O-N 3.29Å; R62-G66 WeakPolarHBondContact CA-O 3.49Å; R62-G66 CarbonylContact O-C 3.54Å; R62-G66 VanDerWaalsContact O-CA 3.22Å; R62-G66 WeakPolarHBondContact O-CA 3.41Å; R62-G66 PolarHBondContact O-N 2.76Å; R62-D67 IonicContact CZ-OD1 3.92Å; R62-D67 VanDerWaalsContact CZ-OD1 3.31Å; R62-D67 IonicContact NE-OD1 3.06Å; R62-D67 PolarHBondContact NE-OD1 3.22Å; R62-D67 IonicContact NH2-OD1 3.93Å; R62-D67 PolarHBondContact NH2-OD1 2.89Å; R62-F69 HydrophobicContact CB-CE1 4.39Å; R62-N82 HydrophobicContact CG-CB 3.95Å; R62-S401 PolarHBondContact NH1-O 3.3Å; R62-D405 IonicContact NH1-OD2 3.53Å; R62-D405 IonicContact NH2-OD2 3.27Å; R62-D405 PolarHBondContact NH2-OD2 3.48Å
63R96.1Very high94.9Very high176 Ų17649.1 Ų49.166%0.66423%0.228SC*.Hα-helixtrans-61-30.1177.7-67.7175.4-163.1-134.4-0.7113.2D59 Q60 L61D59-R63 WeakPolarHBondContact O-CG 3.46Å; D59-R63 PolarHBondContact O-N 2.9Å; D59-R63 IonicContact OD1-NE 3.45Å; D59-R63 IonicContact OD2-CZ 3.72Å; D59-R63 IonicContact OD2-NE 3.19Å; D59-R63 PolarHBondContact OD2-NE 2.78Å; D59-R63 IonicContact OD2-NH2 3Å; D59-R63 PolarHBondContact OD2-NH2 3.49Å; Q60-R63 PolarHBondContact O-N 2.94Å; L61-R63 PolarHBondContact O-N 2.75Å
64R97.3Very high94.8Very high195 Ų19546.9 Ų46.974%0.73622%0.22SC*.Hα-helixtrans-89.6-37.9-176.9-174.9172.7179.6178.91.6113.9Q60 L61 R62Q60-R64 PolarHBondContact O-N 3.46Å; L61-R64 PolarHBondContact O-N 3.42Å; L61-R64 VanDerWaalsContact O-N 3.11Å; R62-R64 PolarHBondContact O-N 3.29Å
65F96.9Very high94.4Very high43 Ų4352.4 Ų52.419%0.18924%0.24CC..Hα-helixtrans-116.8-7.1-169.8-61.3-69.9000113.5P35 P37 L61 F69P35-F65 HydrophobicContact CB-CB 4.42Å; P35-F65 HydrophobicContact CB-CD1 4.16Å; P35-F65 HydrophobicContact CG-CB 4.21Å; P35-F65 VanDerWaalsContact CG-O 3.23Å; P35-F65 WeakPolarHBondContact CG-O 3.2Å; P37-F65 HydrophobicContact CB-CE2 4.37Å; P37-F65 HydrophobicContact CB-CZ 4.34Å; P37-F65 HydrophobicContact CG-CE2 4.48Å; L61-F65 HydrophobicContact CB-CD2 4.39Å; L61-F65 HydrophobicContact CD2-CD2 3.93Å; L61-F65 HydrophobicContact CD2-CE2 3.67Å; L61-F65 WeakPolarHBondContact O-CD2 3.3Å; L61-F65 PolarHBondContact O-N 2.94Å; F65-F69 HydrophobicContact CB-CB 3.72Å
66G97.5Very high94.2Very high34 Ų3454.1 Ų54.135%0.35125%0.25SS..  trans94.6-176.7-17900000113.4R62 V68R62-G66 WeakPolarHBondContact CA-O 3.49Å; R62-G66 CarbonylContact O-C 3.54Å; R62-G66 VanDerWaalsContact O-CA 3.22Å; R62-G66 WeakPolarHBondContact O-CA 3.41Å; R62-G66 PolarHBondContact O-N 2.76Å; G66-V68 PolarHBondContact O-N 3.47Å
67D98.1Very high94.2Very high67 Ų6748.2 Ų48.236%0.35823%0.228SC..SBendtrans-66.6-20.7-173.8-75.7-21.3000114.1R62 N82R62-D67 IonicContact CZ-OD1 3.92Å; R62-D67 VanDerWaalsContact CZ-OD1 3.31Å; R62-D67 IonicContact NE-OD1 3.06Å; R62-D67 PolarHBondContact NE-OD1 3.22Å; R62-D67 IonicContact NH2-OD1 3.93Å; R62-D67 PolarHBondContact NH2-OD1 2.89Å; D67-N82 HydrophobicContact CB-CB 4.46Å; D67-N82 WeakPolarHBondContact O-CB 3.07Å; D67-N82 PolarHBondContact O-N 3.47Å; D67-N82 PolarHBondContact O-ND2 3.14Å
68V98.3Very high94.2Very high3 Ų347.7 Ų47.72%0.01822%0.224CC..EExtended strand (participates in β ladder)trans-127106.4-179.3-175.40000107.9P34 G66 V79 L81 A86 L384 Q385 F387P34-V68 HydrophobicContact CB-CG1 4.11Å; P34-V68 HydrophobicContact CG-CG1 3.98Å; G66-V68 PolarHBondContact O-N 3.47Å; V68-V79 HydrophobicContact CG1-CG1 3.83Å; V68-L81 HydrophobicContact CG1-CD2 4.22Å; V68-L81 HydrophobicContact CG2-CD2 4.41Å; V68-A86 HydrophobicContact CG2-CB 3.8Å; V68-L384 HydrophobicContact CB-CD2 4.24Å; V68-L384 HydrophobicContact CG1-CD2 3.83Å; V68-L384 HydrophobicContact CG2-CD2 3.36Å; V68-Q385 HydrophobicContact CG2-CB 4.04Å; V68-Q385 HydrophobicContact CG2-CG 3.88Å; V68-F387 HydrophobicContact CB-CD2 3.98Å; V68-F387 HydrophobicContact CB-CE2 4.15Å; V68-F387 HydrophobicContact CG1-CD2 4.01Å
69F97.5Very high94.3Very high0 Ų047.5 Ų47.50%022%0.224CC..EExtended strand (participates in β ladder)trans-132.4155.6-17969.3-100.3000111.6P35 F58 L61 R62 F65 L71 V79 V80 N82P35-F69 CarbonylContact O-C 3.48Å; P35-F69 WeakPolarHBondContact O-CA 3.48Å; P35-F69 VanDerWaalsContact O-CB 3.3Å; P35-F69 WeakPolarHBondContact O-CB 3.31Å; F58-F69 HydrophobicContact CB-CZ 4.2Å; F58-F69 HydrophobicContact CD1-CZ 4.21Å; F58-F69 HydrophobicContact CG-CZ 4.07Å; L61-F69 HydrophobicContact CB-CD1 4.32Å; L61-F69 HydrophobicContact CB-CD2 4.25Å; L61-F69 HydrophobicContact CB-CE1 3.86Å; L61-F69 HydrophobicContact CB-CE2 3.8Å; L61-F69 HydrophobicContact CB-CZ 3.58Å; L61-F69 HydrophobicContact CD1-CD2 4.44Å; L61-F69 HydrophobicContact CD1-CE2 3.65Å; L61-F69 HydrophobicContact CD1-CZ 3.97Å; L61-F69 HydrophobicContact CG-CE2 4.37Å; L61-F69 HydrophobicContact CG-CZ 4.45Å; R62-F69 HydrophobicContact CB-CE1 4.39Å; F65-F69 HydrophobicContact CB-CB 3.72Å; F69-L71 HydrophobicContact CD2-CG 4.23Å; F69-L71 HydrophobicContact CE2-CD1 3.92Å; F69-L71 HydrophobicContact CE2-CD2 4.47Å; F69-L71 HydrophobicContact CE2-CG 3.97Å; F69-V79 CarbonylContact O-C 3.59Å; F69-V79 WeakPolarHBondContact O-CA 3.41Å; F69-V80 HydrophobicContact CD1-CB 4.25Å; F69-V80 HydrophobicContact CD2-CB 4.14Å; F69-V80 HydrophobicContact CD2-CG2 4.15Å; F69-V80 HydrophobicContact CE1-CB 3.78Å; F69-V80 HydrophobicContact CE1-CG1 3.88Å; F69-V80 HydrophobicContact CE1-CG2 4.43Å; F69-V80 HydrophobicContact CE2-CB 3.63Å; F69-V80 HydrophobicContact CE2-CG1 4.34Å; F69-V80 HydrophobicContact CE2-CG2 3.42Å; F69-V80 VanDerWaalsContact CE2-CG2 3.42Å; F69-V80 HydrophobicContact CG-CB 4.42Å; F69-V80 HydrophobicContact CZ-CB 3.44Å; F69-V80 VanDerWaalsContact CZ-CB 3.44Å; F69-V80 HydrophobicContact CZ-CG1 3.66Å; F69-V80 HydrophobicContact CZ-CG2 3.6Å; F69-V80 PolarHBondContact N-O 3.05Å; F69-V80 PolarHBondContact O-N 3.43Å; F69-N82 VanDerWaalsContact CE1-ND2 3.33Å; F69-N82 WeakPolarHBondContact CE1-ND2 3.44Å
70S96.1Very high94.4Very high17 Ų1745.3 Ų45.312%0.11921%0.212CC..EExtended strand (participates in β ladder)trans-104.3151.4-17966.40000113Y33 P34 P35 V78Y33-S70 WeakPolarHBondContact CE1-OG 3.2Å; P34-S70 WeakPolarHBondContact O-CB 3.29Å; P34-S70 PolarHBondContact O-OG 3.29Å; P35-S70 PolarHBondContact O-N 3.33Å; S70-V78 CarbonylContact C-O 3.57Å; S70-V78 VanDerWaalsContact CA-O 3.32Å; S70-V78 WeakPolarHBondContact CA-O 3.32Å
71L94.8Very high94.5Very high4 Ų440.7 Ų40.72%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-138.3156.5170.1-66.4172.8000108.6P37 N45 V49 F58 L61 F69 L73 V78 V80P37-L71 HydrophobicContact CG-CD2 3.57Å; N45-L71 HydrophobicContact CB-CB 4.44Å; N45-L71 HydrophobicContact CB-CD2 3.8Å; N45-L71 WeakPolarHBondContact OD1-CA 3.39Å; V49-L71 HydrophobicContact CG2-CD1 3.9Å; V49-L71 HydrophobicContact CG2-CD2 4.22Å; F58-L71 HydrophobicContact CE1-CD1 3.64Å; F58-L71 HydrophobicContact CZ-CD1 3.92Å; L61-L71 HydrophobicContact CD1-CD1 4.38Å; L61-L71 HydrophobicContact CD1-CD2 4.08Å; F69-L71 HydrophobicContact CD2-CG 4.23Å; F69-L71 HydrophobicContact CE2-CD1 3.92Å; F69-L71 HydrophobicContact CE2-CD2 4.47Å; F69-L71 HydrophobicContact CE2-CG 3.97Å; L71-L73 HydrophobicContact CB-CD2 4.36Å; L71-V78 HydrophobicContact CB-CB 4.12Å; L71-V78 HydrophobicContact CB-CG1 4.31Å; L71-V78 PolarHBondContact N-O 3.18Å; L71-V78 WeakPolarHBondContact O-CA 3.45Å; L71-V78 PolarHBondContact O-N 3.12Å; L71-V80 HydrophobicContact CD1-CG2 4.11Å
72Q91.3Very high94.6Very high14 Ų1439.9 Ų39.97%0.06519%0.186CC..EExtended strand (participates in β ladder)trans-124.397.8173.8-176.358.156.600108R28 P39 G44 N45 A74 W75 T76R28-Q72 VanDerWaalsContact NH1-OE1 3.08Å; P39-Q72 HydrophobicContact CB-CB 4.32Å; G44-Q72 CarbonylContact C-O 3.59Å; G44-Q72 VanDerWaalsContact CA-O 3.32Å; G44-Q72 WeakPolarHBondContact CA-O 3.33Å; N45-Q72 PolarHBondContact N-O 2.99Å; N45-Q72 PolarHBondContact OD1-N 3.38Å; Q72-A74 PolarHBondContact NE2-O 3.46Å; Q72-A74 PolarHBondContact O-N 2.89Å; Q72-W75 PolarHBondContact NE2-O 3.31Å; Q72-T76 PolarHBondContact NE2-O 2.89Å
73L88.1Confident94.6Very high28 Ų2838.1 Ų38.115%0.14718%0.18CC..EExtended strand (participates in β ladder)trans-91.8101-177.8-56.7-173.6000108.8L46 V49 F51 L71 W75 T76 V78L46-L73 HydrophobicContact CD2-CB 4.29Å; L46-L73 HydrophobicContact CD2-CD2 4.35Å; V49-L73 HydrophobicContact CG2-CD2 4.3Å; F51-L73 HydrophobicContact CZ-CD2 4.32Å; L71-L73 HydrophobicContact CB-CD2 4.36Å; L73-W75 PolarHBondContact O-N 3.39Å; L73-W75 VanDerWaalsContact O-N 3.11Å; L73-T76 PolarHBondContact N-O 3.29Å; L73-T76 WeakPolarHBondContact O-CB 3.32Å; L73-T76 PolarHBondContact O-N 3.06Å; L73-V78 HydrophobicContact CD1-CG2 3.97Å; L73-V78 HydrophobicContact CG-CG2 4.01Å
74A84.7Confident94.7Very high24 Ų2431.6 Ų31.620%0.19816%0.158CC..THydrogen-bonded Turntrans51.9-114.3-165.700000111R25 L43 L46 Q72R25-A74 PolarHBondContact NH2-O 3.02Å; L43-A74 PolarHBondContact O-N 3.11Å; L46-A74 HydrophobicContact CD1-CB 4.13Å; Q72-A74 PolarHBondContact NE2-O 3.46Å; Q72-A74 PolarHBondContact O-N 2.89Å
75W83.3Confident94.8Very high126 Ų12625.1 Ų25.148%0.47715%0.146SC..THydrogen-bonded Turntrans-94.6-3.6177.3-58.2-69.7000114Q72 L73 P77 A226 I227Q72-W75 PolarHBondContact NE2-O 3.31Å; L73-W75 PolarHBondContact O-N 3.39Å; L73-W75 VanDerWaalsContact O-N 3.11Å; W75-P77 WeakPolarHBondContact O-CD 3.41Å; W75-A226 HydrophobicContact CE3-CB 3.89Å; W75-A226 HydrophobicContact CZ3-CB 3.96Å; W75-I227 HydrophobicContact CH2-CD1 3.97Å; W75-I227 HydrophobicContact CH2-CG1 4.25Å; W75-I227 HydrophobicContact CZ3-CD1 4Å; W75-I227 HydrophobicContact CZ3-CG1 3.83Å
76T87.8Confident94.8Very high58 Ų5823.1 Ų23.136%0.35614%0.138SC..EExtended strand (participates in β ladder)trans-89.5114.3-178.9-53.30000111.1Q72 L73 V78 T394Q72-T76 PolarHBondContact NE2-O 2.89Å; L73-T76 PolarHBondContact N-O 3.29Å; L73-T76 WeakPolarHBondContact O-CB 3.32Å; L73-T76 PolarHBondContact O-N 3.06Å; T76-V78 HydrophobicContact CG2-CG2 4.28Å; T76-T394 WeakPolarHBondContact CG2-OG1 3.24Å
77P92.5Very high94.9Very high8 Ų821.5 Ų21.55%0.05212%0.121CC..EExtended strand (participates in β ladder)trans-70.6133.517030.7-33.7000110.1W75 T393 T394W75-P77 WeakPolarHBondContact O-CD 3.41Å; P77-T393 HydrophobicContact CB-CG2 4.5Å; P77-T394 WeakPolarHBondContact O-CB 3.43Å; P77-T394 PolarHBondContact O-N 3.3Å
78V95Very high94.9Very high1 Ų123.8 Ų23.81%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-126.9137.9-179.51700000109.6S70 L71 L73 T76 V80 T394 F396S70-V78 CarbonylContact C-O 3.57Å; S70-V78 VanDerWaalsContact CA-O 3.32Å; S70-V78 WeakPolarHBondContact CA-O 3.32Å; L71-V78 HydrophobicContact CB-CB 4.12Å; L71-V78 HydrophobicContact CB-CG1 4.31Å; L71-V78 PolarHBondContact N-O 3.18Å; L71-V78 WeakPolarHBondContact O-CA 3.45Å; L71-V78 PolarHBondContact O-N 3.12Å; L73-V78 HydrophobicContact CD1-CG2 3.97Å; L73-V78 HydrophobicContact CG-CG2 4.01Å; T76-V78 HydrophobicContact CG2-CG2 4.28Å; V78-V80 HydrophobicContact CG1-CG2 4.08Å; V78-T394 CarbonylContact C-O 3.45Å; V78-T394 VanDerWaalsContact CA-O 3.29Å; V78-T394 WeakPolarHBondContact CA-O 3.42Å; V78-T394 HydrophobicContact CG2-CG2 4.36Å; V78-F396 HydrophobicContact CG1-CD2 3.42Å; V78-F396 VanDerWaalsContact CG1-CD2 3.42Å; V78-F396 HydrophobicContact CG1-CE2 3.81Å; V78-F396 HydrophobicContact CG1-CG 4.35Å; V78-F396 HydrophobicContact CG2-CD2 4.32Å; V78-F396 HydrophobicContact CG2-CE2 3.92Å
79V97.8Very high94.9Very high0 Ų025.8 Ų25.80%013%0.134CC..EExtended strand (participates in β ladder)trans-120.7130.5163170.60000108.1Y33 P34 V68 F69 L81 I389 T393 T394 L395 F396Y33-V79 HydrophobicContact CE2-CG2 4.47Å; P34-V79 HydrophobicContact CG-CG1 4.31Å; P34-V79 HydrophobicContact CG-CG2 4.02Å; V68-V79 HydrophobicContact CG1-CG1 3.83Å; F69-V79 CarbonylContact O-C 3.59Å; F69-V79 WeakPolarHBondContact O-CA 3.41Å; V79-L81 HydrophobicContact CG1-CD2 3.96Å; V79-I389 HydrophobicContact CG1-CD1 4.02Å; V79-I389 HydrophobicContact CG2-CG2 4.39Å; V79-T393 HydrophobicContact CB-CG2 4.13Å; V79-T393 HydrophobicContact CG2-CG2 3.68Å; V79-T394 PolarHBondContact N-O 3.16Å; V79-L395 HydrophobicContact CB-CD2 3.99Å; V79-L395 HydrophobicContact CG1-CD2 4.4Å; V79-L395 WeakPolarHBondContact O-CA 3.38Å; V79-F396 PolarHBondContact O-N 3.22Å
80V98.5Very high94.9Very high0 Ų025.8 Ų25.80%013%0.134CC..EExtended strand (participates in β ladder)trans-100.9127.7177.2-174.20000108.4F58 F69 L71 V78 F396 N398F58-V80 HydrophobicContact CD2-CG1 3.6Å; F58-V80 HydrophobicContact CD2-CG2 4.09Å; F58-V80 HydrophobicContact CE1-CG2 4.47Å; F58-V80 HydrophobicContact CE2-CB 4.45Å; F58-V80 HydrophobicContact CE2-CG1 3.88Å; F58-V80 HydrophobicContact CE2-CG2 3.64Å; F58-V80 HydrophobicContact CG-CG1 4.34Å; F58-V80 HydrophobicContact CZ-CG2 3.86Å; F69-V80 HydrophobicContact CD1-CB 4.25Å; F69-V80 HydrophobicContact CD2-CB 4.14Å; F69-V80 HydrophobicContact CD2-CG2 4.15Å; F69-V80 HydrophobicContact CE1-CB 3.78Å; F69-V80 HydrophobicContact CE1-CG1 3.88Å; F69-V80 HydrophobicContact CE1-CG2 4.43Å; F69-V80 HydrophobicContact CE2-CB 3.63Å; F69-V80 HydrophobicContact CE2-CG1 4.34Å; F69-V80 HydrophobicContact CE2-CG2 3.42Å; F69-V80 VanDerWaalsContact CE2-CG2 3.42Å; F69-V80 HydrophobicContact CG-CB 4.42Å; F69-V80 HydrophobicContact CZ-CB 3.44Å; F69-V80 VanDerWaalsContact CZ-CB 3.44Å; F69-V80 HydrophobicContact CZ-CG1 3.66Å; F69-V80 HydrophobicContact CZ-CG2 3.6Å; F69-V80 PolarHBondContact N-O 3.05Å; F69-V80 PolarHBondContact O-N 3.43Å; L71-V80 HydrophobicContact CD1-CG2 4.11Å; V78-V80 HydrophobicContact CG1-CG2 4.08Å; V80-F396 HydrophobicContact CG1-CB 4.36Å; V80-F396 HydrophobicContact CG2-CB 4.21Å; V80-N398 HydrophobicContact CG1-CB 4.22Å
81L98.7Very high95Very high0 Ų025.1 Ų25.10%013%0.129CC..EExtended strand (participates in β ladder)trans-106122.8-179.9-54174.8000109.2V68 V79 A86 V87 A90 L384 L395 F396 T397 N398V68-L81 HydrophobicContact CG1-CD2 4.22Å; V68-L81 HydrophobicContact CG2-CD2 4.41Å; V79-L81 HydrophobicContact CG1-CD2 3.96Å; L81-A86 HydrophobicContact CB-CB 4.46Å; L81-V87 HydrophobicContact CB-CG2 4.12Å; L81-A90 HydrophobicContact CD1-CB 3.33Å; L81-L384 HydrophobicContact CD2-CD1 3.98Å; L81-L384 HydrophobicContact CD2-CD2 3.81Å; L81-L395 HydrophobicContact CD1-CB 4.37Å; L81-L395 HydrophobicContact CD1-CD1 4.43Å; L81-F396 PolarHBondContact N-O 3.27Å; L81-T397 HydrophobicContact CD1-CG2 4.31Å; L81-N398 VanDerWaalsContact O-CB 3.29Å; L81-N398 WeakPolarHBondContact O-CB 3.34Å; L81-N398 PolarHBondContact O-N 2.89Å
82N98.7Very high95.2Very high0 Ų028.7 Ų28.70%015%0.151CC..EExtended strand (participates in β ladder)trans-122.3149.5-177.8-50.7-92.7000111.2R62 D67 F69 A86 N398 S401R62-N82 HydrophobicContact CG-CB 3.95Å; D67-N82 HydrophobicContact CB-CB 4.46Å; D67-N82 WeakPolarHBondContact O-CB 3.07Å; D67-N82 PolarHBondContact O-N 3.47Å; D67-N82 PolarHBondContact O-ND2 3.14Å; F69-N82 VanDerWaalsContact CE1-ND2 3.33Å; F69-N82 WeakPolarHBondContact CE1-ND2 3.44Å; N82-A86 WeakPolarHBondContact O-CB 3.48Å; N82-N398 WeakPolarHBondContact OD1-CB 3.45Å; N82-N398 PolarHBondContact OD1-ND2 2.88Å; N82-S401 WeakPolarHBondContact CA-OG 3.33Å; N82-S401 WeakPolarHBondContact CB-OG 3.46Å
83G98.1Very high95.5Very high3 Ų333 Ų333%0.03118%0.178CC..Hα-helixtrans73.2160.3-178.700000113.7A85 V87 S401G83-A85 VanDerWaalsContact C-N 3.32Å; G83-A85 PolarHBondContact O-N 2.98Å; G83-V87 WeakPolarHBondContact O-CG2 3.23Å; G83-V87 PolarHBondContact O-N 3.22Å; G83-S401 PolarHBondContact N-OG 2.96Å
84L98.4Very high96Very high38 Ų3834.8 Ų34.820%0.19918%0.183CC..Hα-helixtrans-61.4-40.3-173.7-179.758.7000112.3R88 V402 E431 A432 L434L84-R88 WeakPolarHBondContact O-CB 3.37Å; L84-R88 PolarHBondContact O-N 3.27Å; L84-V402 HydrophobicContact CB-CG1 4.01Å; L84-V402 HydrophobicContact CD1-CG1 4.19Å; L84-E431 HydrophobicContact CD2-CB 3.82Å; L84-A432 HydrophobicContact CD2-CB 4.47Å; L84-L434 HydrophobicContact CD1-CD1 3.43Å; L84-L434 VanDerWaalsContact CD1-CD1 3.43Å; L84-L434 HydrophobicContact CD1-CG 4.29Å
85A98.2Very high96.5Very high59 Ų5933.9 Ų33.949%0.48818%0.176SC..Hα-helixtrans-62.1-54.2-175.600000112.2G83 V87 R88 E89G83-A85 VanDerWaalsContact C-N 3.32Å; G83-A85 PolarHBondContact O-N 2.98Å; A85-V87 PolarHBondContact O-N 3.06Å; A85-R88 PolarHBondContact O-N 3.2Å; A85-E89 WeakPolarHBondContact O-CB 3.36Å; A85-E89 PolarHBondContact O-N 2.88Å
86A98.4Very high97.1Very high1 Ų132.8 Ų32.81%0.00818%0.177CC..Hα-helixtrans-65-41.9-17900000112.1V68 L81 N82 A90 L384 Q385V68-A86 HydrophobicContact CG2-CB 3.8Å; L81-A86 HydrophobicContact CB-CB 4.46Å; N82-A86 WeakPolarHBondContact O-CB 3.48Å; A86-A90 WeakPolarHBondContact O-CB 3.45Å; A86-A90 PolarHBondContact O-N 2.88Å; A86-L384 HydrophobicContact CB-CD2 4.29Å; A86-Q385 HydrophobicContact CB-CG 4.29Å
87V98.6Very high97.6Very high0 Ų031.4 Ų31.40%017%0.167CC..Hα-helixtrans-64.6-44.8178.11730000111L81 G83 A85 L91 V402 L434L81-V87 HydrophobicContact CB-CG2 4.12Å; G83-V87 WeakPolarHBondContact O-CG2 3.23Å; G83-V87 PolarHBondContact O-N 3.22Å; A85-V87 PolarHBondContact O-N 3.06Å; V87-L91 HydrophobicContact CG1-CD1 3.81Å; V87-L91 HydrophobicContact CG1-CG 4.37Å; V87-L91 WeakPolarHBondContact O-CB 3.5Å; V87-L91 WeakPolarHBondContact O-CG 3.28Å; V87-L91 PolarHBondContact O-N 2.76Å; V87-V402 HydrophobicContact CG2-CG2 4.11Å; V87-L434 HydrophobicContact CG1-CD1 4.49Å
88R98Very high97.8Very high115 Ų11531 Ų3143%0.43417%0.165SC..Hα-helixtrans-68.5-42-179.9-173.2174.9176.9165.1-2.3111.8L84 A85 V92 T93 E431L84-R88 WeakPolarHBondContact O-CB 3.37Å; L84-R88 PolarHBondContact O-N 3.27Å; A85-R88 PolarHBondContact O-N 3.2Å; R88-V92 HydrophobicContact CG-CB 4.2Å; R88-V92 HydrophobicContact CG-CG2 3.99Å; R88-V92 WeakPolarHBondContact O-CA 3.33Å; R88-V92 WeakPolarHBondContact O-CB 3.49Å; R88-V92 PolarHBondContact O-N 3.08Å; R88-T93 PolarHBondContact O-N 3.39Å; R88-E431 IonicContact CZ-OE2 3.45Å; R88-E431 IonicContact NH1-OE1 2.77Å; R88-E431 IonicContact NH1-OE2 2.98Å; R88-E431 PolarHBondContact NH1-OE2 3.28Å
89E98.3Very high98Very high46 Ų4631.1 Ų31.122%0.21517%0.165CC..Iπ-helixtrans-59.2-48.4175.5-174.2176.2-156.200111.1A85 T93 Y94 L384 Q385A85-E89 WeakPolarHBondContact O-CB 3.36Å; A85-E89 PolarHBondContact O-N 2.88Å; E89-T93 WeakPolarHBondContact O-CA 3.36Å; E89-T93 WeakPolarHBondContact O-CB 3.4Å; E89-T93 PolarHBondContact O-N 3.49Å; E89-Y94 HydrophobicContact CG-CD2 4.09Å; E89-Y94 HydrophobicContact CG-CE2 3.99Å; E89-Y94 WeakPolarHBondContact O-CD2 3.42Å; E89-Y94 PolarHBondContact O-N 3Å; E89-L384 HydrophobicContact CG-CG 4.4Å; E89-Q385 WeakPolarHBondContact OE2-CG 3.35Å; E89-Q385 PolarHBondContact OE2-N 3.39Å; E89-Q385 VanDerWaalsContact OE2-N 3.11Å; E89-Q385 PolarHBondContact OE2-NE2 2.87Å
90A98.4Very high98Very high0 Ų031.7 Ų31.70%017%0.168CC..Iπ-helixtrans-60.1-54.9176.700000112.7L81 A86 Y94 T98 L384L81-A90 HydrophobicContact CD1-CB 3.33Å; A86-A90 WeakPolarHBondContact O-CB 3.45Å; A86-A90 PolarHBondContact O-N 2.88Å; A90-Y94 CarbonylContact O-C 3.35Å; A90-Y94 VanDerWaalsContact O-C 3.28Å; A90-Y94 WeakPolarHBondContact O-CB 3.34Å; A90-T98 WeakPolarHBondContact O-CB 3.43Å; A90-T98 VanDerWaalsContact O-CG2 3.31Å; A90-T98 WeakPolarHBondContact O-CG2 3.33Å; A90-T98 PolarHBondContact O-OG1 2.8Å; A90-L384 HydrophobicContact CB-CD1 3.5Å; A90-L384 VanDerWaalsContact CB-CD1 3.5Å
91L98.3Very high98Very high3 Ų332.2 Ų32.22%0.01617%0.17CC..Iπ-helixtrans-86.4-23.6-165-60.3-174.3000113.5V87 G95 T397 S437 A438 G439V87-L91 HydrophobicContact CG1-CD1 3.81Å; V87-L91 HydrophobicContact CG1-CG 4.37Å; V87-L91 WeakPolarHBondContact O-CB 3.5Å; V87-L91 WeakPolarHBondContact O-CG 3.28Å; V87-L91 PolarHBondContact O-N 2.76Å; L91-G95 VanDerWaalsContact O-CA 3.22Å; L91-G95 WeakPolarHBondContact O-CA 3.42Å; L91-T397 HydrophobicContact CD1-CG2 3.85Å; L91-T397 HydrophobicContact CD2-CG2 4.05Å; L91-T397 HydrophobicContact CG-CG2 4.19Å; L91-S437 VanDerWaalsContact CD1-OG 3.28Å; L91-S437 WeakPolarHBondContact CD1-OG 3.24Å; L91-A438 HydrophobicContact CB-CB 4.29Å; L91-A438 HydrophobicContact CD1-CB 4.28Å; L91-G439 VanDerWaalsContact O-CA 3.26Å; L91-G439 WeakPolarHBondContact O-CA 3.37Å
92V97.9Very high97.8Very high78 Ų7833.3 Ų33.347%0.47318%0.178SC..Iπ-helixtrans-106.7-59.9-178.3-174.30000110.4R88 G95 A438R88-V92 HydrophobicContact CG-CB 4.2Å; R88-V92 HydrophobicContact CG-CG2 3.99Å; R88-V92 WeakPolarHBondContact O-CA 3.33Å; R88-V92 WeakPolarHBondContact O-CB 3.49Å; R88-V92 PolarHBondContact O-N 3.08Å; V92-G95 PolarHBondContact O-N 3.47Å; V92-A438 HydrophobicContact CG2-CB 4.09Å
93T97.8Very high97.5Very high104 Ų10436.9 Ų36.964%0.63820%0.201SC*.Iπ-helixtrans-63.1-48.9-178.3-49.70000111R88 E89 G95R88-T93 PolarHBondContact O-N 3.39Å; E89-T93 WeakPolarHBondContact O-CA 3.36Å; E89-T93 WeakPolarHBondContact O-CB 3.4Å; E89-T93 PolarHBondContact O-N 3.49Å; T93-G95 VanDerWaalsContact C-N 3.33Å
94Y97.8Very high97.2Very high66 Ų6638.7 Ų38.726%0.25921%0.211SC..THydrogen-bonded Turntrans-95.925.4175.3-65.8-75.1000113.1E89 A90 E96 D97 T98 I382 E383E89-Y94 HydrophobicContact CG-CD2 4.09Å; E89-Y94 HydrophobicContact CG-CE2 3.99Å; E89-Y94 WeakPolarHBondContact O-CD2 3.42Å; E89-Y94 PolarHBondContact O-N 3Å; A90-Y94 CarbonylContact O-C 3.35Å; A90-Y94 VanDerWaalsContact O-C 3.28Å; A90-Y94 WeakPolarHBondContact O-CB 3.34Å; Y94-E96 PolarHBondContact O-N 3.11Å; Y94-D97 CarbonylContact O-C 3.49Å; Y94-D97 PolarHBondContact O-N 3.36Å; Y94-T98 PolarHBondContact O-N 2.86Å; Y94-T98 PolarHBondContact O-OG1 2.92Å; Y94-T98 VanDerWaalsContact O-OG1 3.09Å; Y94-I382 HydrophobicContact CD1-CB 3.99Å; Y94-I382 HydrophobicContact CD1-CG2 3.77Å; Y94-I382 HydrophobicContact CE1-CB 4.25Å; Y94-I382 HydrophobicContact CE1-CG2 4.38Å; Y94-I382 HydrophobicContact CG-CB 4.18Å; Y94-I382 HydrophobicContact CG-CD1 4.41Å; Y94-I382 HydrophobicContact CG-CG2 4.12Å; Y94-E383 WeakPolarHBondContact CE2-O 3.11Å; Y94-E383 PolarHBondContact OH-O 3.46Å; Y94-E383 VanDerWaalsContact OH-O 3.08Å
95G95.9Very high96.8Very high5 Ų538.1 Ų38.15%0.05221%0.21CC..THydrogen-bonded Turntrans-61.6-21.6-170.300000115.6L91 V92 T93 A99L91-G95 VanDerWaalsContact O-CA 3.22Å; L91-G95 WeakPolarHBondContact O-CA 3.42Å; V92-G95 PolarHBondContact O-N 3.47Å; T93-G95 VanDerWaalsContact C-N 3.33Å; G95-A99 VanDerWaalsContact O-CB 3.26Å; G95-A99 WeakPolarHBondContact O-CB 3.24Å
96E95.8Very high96.3Very high103 Ų10335.3 Ų35.348%0.48119%0.186SC..THydrogen-bonded Turntrans-73.3-37171.3-60.9-154.7142.800112.3Y94 Y124 R440Y94-E96 PolarHBondContact O-N 3.11Å; E96-Y124 WeakPolarHBondContact O-CE1 3.48Å; E96-R440 VanDerWaalsContact CG-NH2 3.32Å; E96-R440 IonicContact OE1-CZ 2.93Å; E96-R440 IonicContact OE1-NH1 2.74Å; E96-R440 PolarHBondContact OE1-NH1 3.49Å; E96-R440 IonicContact OE1-NH2 2.67Å; E96-R440 PolarHBondContact OE1-NH2 2.86Å
97D98.1Very high95.9Very high29 Ų2935.5 Ų35.516%0.15519%0.187CC..THydrogen-bonded Turntrans-89.2-14.1-174.2-62.8-43.8000112.2Y94 T378 S379 R380 I382Y94-D97 CarbonylContact O-C 3.49Å; Y94-D97 PolarHBondContact O-N 3.36Å; D97-T378 CarbonylContact O-C 3.49Å; D97-T378 VanDerWaalsContact O-CA 3.26Å; D97-T378 WeakPolarHBondContact O-CA 3.17Å; D97-S379 WeakPolarHBondContact CA-OG 3.47Å; D97-S379 PolarHBondContact O-N 3.13Å; D97-S379 PolarHBondContact O-OG 2.7Å; D97-R380 HydrophobicContact CB-CB 4.43Å; D97-R380 WeakPolarHBondContact OD1-CD 3.34Å; D97-R380 IonicContact OD1-NH1 3.97Å; D97-I382 HydrophobicContact CB-CG2 3.79Å
98T98.3Very high95.4Very high1 Ų142 Ų421%0.00622%0.217CC..SBendtrans-1146.3-179.362.70000114.2A90 Y94 D100 H376 T378 I382 L395A90-T98 WeakPolarHBondContact O-CB 3.43Å; A90-T98 VanDerWaalsContact O-CG2 3.31Å; A90-T98 WeakPolarHBondContact O-CG2 3.33Å; A90-T98 PolarHBondContact O-OG1 2.8Å; Y94-T98 PolarHBondContact O-N 2.86Å; Y94-T98 PolarHBondContact O-OG1 2.92Å; Y94-T98 VanDerWaalsContact O-OG1 3.09Å; T98-D100 VanDerWaalsContact C-N 3.3Å; T98-D100 PolarHBondContact O-N 3.48Å; T98-H376 WeakPolarHBondContact O-CB 3.22Å; T98-H376 PolarHBondContact O-ND1 3.44Å; T98-T378 HydrophobicContact CG2-CG2 4.46Å; T98-I382 HydrophobicContact CG2-CD1 3.76Å; T98-L395 HydrophobicContact CG2-CD1 3.72Å
99A98.3Very high94.9Very high2 Ų239.6 Ų39.62%0.01722%0.216CC..  trans-81.8-0-179.300000115G95 Y124 R440 R441G95-A99 VanDerWaalsContact O-CB 3.26Å; G95-A99 WeakPolarHBondContact O-CB 3.24Å; A99-Y124 HydrophobicContact CB-CD2 3.47Å; A99-Y124 VanDerWaalsContact CB-CD2 3.47Å; A99-Y124 HydrophobicContact CB-CE2 3.61Å; A99-Y124 HydrophobicContact CB-CG 4.06Å; A99-R440 HydrophobicContact CB-CB 4.19Å; A99-R441 HydrophobicContact CB-CG 4.34Å; A99-R441 PolarHBondContact O-NE 2.82Å; A99-R441 PolarHBondContact O-NH2 2.91Å
100D98.5Very high94.4Very high12 Ų1238 Ų386%0.06421%0.208CC..BIsolated β-bridgetrans-80.4161.5179.3-156.99.3000112.3T98 R123 Y124 H376 M377T98-D100 VanDerWaalsContact C-N 3.3Å; T98-D100 PolarHBondContact O-N 3.48Å; D100-R123 WeakPolarHBondContact OD1-CA 3.29Å; D100-R123 WeakPolarHBondContact OD1-CD 3.45Å; D100-R123 IonicContact OD1-CZ 3.96Å; D100-R123 IonicContact OD1-NE 3.54Å; D100-R123 PolarHBondContact OD1-NE 3.46Å; D100-R123 IonicContact OD1-NH2 3.91Å; D100-R123 IonicContact OD2-CZ 2.72Å; D100-R123 IonicContact OD2-NE 2.61Å; D100-R123 PolarHBondContact OD2-NE 3.1Å; D100-R123 VanDerWaalsContact OD2-NE 3.15Å; D100-R123 IonicContact OD2-NH2 3.33Å; D100-R123 PolarHBondContact OD2-NH2 2.75Å; D100-Y124 PolarHBondContact OD1-N 2.65Å; D100-H376 CarbonylContact O-C 3.23Å; D100-H376 WeakPolarHBondContact O-CA 3.4Å; D100-M377 HydrophobicContact CB-CB 4.42Å; D100-M377 WeakPolarHBondContact CB-O 3.38Å; D100-M377 PolarHBondContact O-N 3.45Å; D100-M377 WeakPolarHBondContact OD2-CE 3.49Å
101R97.8Very high93.9Very high12 Ų1239.5 Ų39.55%0.04522%0.224CC..  trans-110.7144.7174.8-68.8-62-167.6-152.1-2.7109.7F120 R123 V374 T375 H376 M377R101-F120 PolarHBondContact NE-O 3.4Å; R101-R123 WeakPolarHBondContact O-CD 3.49Å; R101-R123 PolarHBondContact O-NE 3.22Å; R101-V374 VanDerWaalsContact CZ-CG1 3.49Å; R101-V374 PolarHBondContact NH1-O 3.44Å; R101-T375 WeakPolarHBondContact CD-O 3.21Å; R101-T375 PolarHBondContact NH1-O 3.38Å; R101-H376 PolarHBondContact NH1-CD2 2.76Å; R101-H376 VanDerWaalsContact NH1-CD2 3.33Å; R101-H376 PolarHBondContact NH1-NE2 3.08Å; R101-M377 WeakPolarHBondContact O-CE 3.48Å
102P95.4Very high93.7Very high23 Ų2341.3 Ų41.315%0.14923%0.232CC..  trans-55141.9168-24.635000110.9M377 T394P102-M377 HydrophobicContact CG-CB 4.26Å; P102-T394 HydrophobicContact CG-CG2 3.86Å
103P92.2Very high93.4Very high75 Ų7538.7 Ų38.749%0.48722%0.221SC..  trans-63.6138.3174.326.2-32.1000110.7P105P103-P105 WeakPolarHBondContact O-CD 3.46Å
104V90.9Very high93.2Very high41 Ų4138.9 Ų38.925%0.24822%0.224CC..  trans-123.281177.2-175.10000108.7I106 N107V104-I106 HydrophobicContact CG1-CG2 3.81Å; V104-I106 PolarHBondContact O-N 3.48Å; V104-N107 HydrophobicContact CG1-CB 4.47Å; V104-N107 WeakPolarHBondContact O-CB 3.3Å; V104-N107 PolarHBondContact O-N 2.81Å
105P89.8Confident93Very high26 Ų2639.4 Ų39.417%0.16923%0.225CC..G310 helixtrans-58.4-31-172.3-28.938.4000114.4P103 N107 Q108 N225 P228 L231P103-P105 WeakPolarHBondContact O-CD 3.46Å; P105-N107 PolarHBondContact O-N 2.76Å; P105-N107 VanDerWaalsContact O-N 3.15Å; P105-Q108 WeakPolarHBondContact O-CB 3.37Å; P105-Q108 VanDerWaalsContact O-CG 3.29Å; P105-Q108 WeakPolarHBondContact O-CG 3.31Å; P105-Q108 PolarHBondContact O-N 3.38Å; P105-Q108 VanDerWaalsContact O-N 3.15Å; P105-N225 WeakPolarHBondContact CD-OD1 3.32Å; P105-P228 HydrophobicContact CB-CB 3.89Å; P105-P228 HydrophobicContact CB-CG 3.75Å; P105-P228 HydrophobicContact CG-CB 4.38Å; P105-P228 HydrophobicContact CG-CG 3.69Å; P105-L231 HydrophobicContact CB-CD1 4.41Å
106I88.7Confident93Very high0 Ų039.8 Ų39.80%023%0.227CC..G310 helixtrans-59.8-27.3-179.7-160.8178.1000112.8V104 Q108 V109 R221 L224 N225 L231 V240 L241V104-I106 HydrophobicContact CG1-CG2 3.81Å; V104-I106 PolarHBondContact O-N 3.48Å; I106-Q108 PolarHBondContact O-N 2.92Å; I106-Q108 VanDerWaalsContact O-N 3.16Å; I106-V109 WeakPolarHBondContact O-CB 3.42Å; I106-V109 PolarHBondContact O-N 2.83Å; I106-R221 HydrophobicContact CD1-CG 4.39Å; I106-R221 HydrophobicContact CG2-CG 4.42Å; I106-L224 HydrophobicContact CD1-CB 4.06Å; I106-L224 HydrophobicContact CD1-CD1 3.61Å; I106-L224 HydrophobicContact CD1-CG 4.5Å; I106-L224 HydrophobicContact CG1-CD1 4.38Å; I106-N225 WeakPolarHBondContact CB-OD1 3.4Å; I106-N225 WeakPolarHBondContact CG2-OD1 3.19Å; I106-N225 PolarHBondContact N-OD1 2.86Å; I106-L231 HydrophobicContact CB-CD2 4.38Å; I106-L231 HydrophobicContact CG1-CD2 3.86Å; I106-V240 HydrophobicContact CD1-CB 4.1Å; I106-V240 HydrophobicContact CD1-CG1 3.66Å; I106-L241 HydrophobicContact CD1-CD1 4.07Å; I106-L241 HydrophobicContact CD1-CD2 4.11Å; I106-L241 HydrophobicContact CD1-CG 3.94Å; I106-L241 HydrophobicContact CG1-CD1 3.74Å; I106-L241 HydrophobicContact CG1-CG 4.18Å; I106-L241 HydrophobicContact CG2-CD1 4.37Å
107N90.3Very high93Very high5 Ų536.6 Ų36.63%0.02721%0.212CC..G310 helixtrans-68.5-13.2-179.1-70.4-1.2000113.5V104 P105 V109 L110 F112 L121V104-N107 HydrophobicContact CG1-CB 4.47Å; V104-N107 WeakPolarHBondContact O-CB 3.3Å; V104-N107 PolarHBondContact O-N 2.81Å; P105-N107 PolarHBondContact O-N 2.76Å; P105-N107 VanDerWaalsContact O-N 3.15Å; N107-V109 PolarHBondContact O-N 3.49Å; N107-V109 VanDerWaalsContact O-N 3.14Å; N107-L110 WeakPolarHBondContact O-CA 3.24Å; N107-L110 WeakPolarHBondContact O-CB 3.38Å; N107-L110 PolarHBondContact O-N 3.21Å; N107-F112 HydrophobicContact CB-CB 4.12Å; N107-F112 HydrophobicContact CB-CD1 4.1Å; N107-F112 HydrophobicContact CB-CD2 3.77Å; N107-F112 HydrophobicContact CB-CE1 4.49Å; N107-F112 HydrophobicContact CB-CE2 4.18Å; N107-F112 HydrophobicContact CB-CG 3.73Å; N107-F112 WeakPolarHBondContact O-CB 3.43Å; N107-F112 WeakPolarHBondContact O-CD2 3.43Å; N107-F112 PolarHBondContact O-N 2.86Å; N107-L121 WeakPolarHBondContact ND2-CD1 3.42Å
108Q87.5Confident93Very high135 Ų13535.3 Ų35.363%0.63121%0.206SC*.G310 helixtrans-55.1-30.6171-69175.33.400111.7P105 I106 L110 G111P105-Q108 WeakPolarHBondContact O-CB 3.37Å; P105-Q108 VanDerWaalsContact O-CG 3.29Å; P105-Q108 WeakPolarHBondContact O-CG 3.31Å; P105-Q108 PolarHBondContact O-N 3.38Å; P105-Q108 VanDerWaalsContact O-N 3.15Å; I106-Q108 PolarHBondContact O-N 2.92Å; I106-Q108 VanDerWaalsContact O-N 3.16Å; Q108-L110 PolarHBondContact O-N 3.44Å; Q108-G111 PolarHBondContact O-N 3.25Å; Q108-G111 VanDerWaalsContact O-N 3.16Å
109V86.6Confident93Very high65 Ų6535.7 Ų35.739%0.39421%0.208SC..G310 helixtrans-69.2-17.9177.6-1780000112.6I106 N107 A237I106-V109 WeakPolarHBondContact O-CB 3.42Å; I106-V109 PolarHBondContact O-N 2.83Å; N107-V109 PolarHBondContact O-N 3.49Å; N107-V109 VanDerWaalsContact O-N 3.14Å; V109-A237 HydrophobicContact CG1-CB 4.36Å; V109-A237 HydrophobicContact CG2-CB 3.76Å
110L88.2Confident92.9Very high12 Ų1239.1 Ų39.16%0.06322%0.223CC..G310 helixtrans-94.87176.5-55.3176.2000112.8N107 Q108 F112 L241 Q244 K245 L248N107-L110 WeakPolarHBondContact O-CA 3.24Å; N107-L110 WeakPolarHBondContact O-CB 3.38Å; N107-L110 PolarHBondContact O-N 3.21Å; Q108-L110 PolarHBondContact O-N 3.44Å; L110-F112 HydrophobicContact CB-CD2 4.1Å; L110-F112 HydrophobicContact CB-CE2 4.34Å; L110-L241 HydrophobicContact CD1-CD1 4.06Å; L110-L241 HydrophobicContact CD2-CB 4.27Å; L110-L241 HydrophobicContact CD2-CD1 4.12Å; L110-L241 HydrophobicContact CG-CD1 3.92Å; L110-Q244 HydrophobicContact CD1-CB 4.32Å; L110-Q244 VanDerWaalsContact CD1-OE1 3.22Å; L110-Q244 HydrophobicContact CD2-CB 4.19Å; L110-K245 HydrophobicContact CD2-CB 4.47Å; L110-L248 HydrophobicContact CB-CD1 3.93Å; L110-L248 HydrophobicContact CD2-CD1 4.02Å; L110-L248 HydrophobicContact CG-CD1 4.39Å
111G88.7Confident92.7Very high32 Ų3240.4 Ų40.433%0.3323%0.229SC..THydrogen-bonded Turntrans89.113.6-177.700000114.4Q108 G113 S116Q108-G111 PolarHBondContact O-N 3.25Å; Q108-G111 VanDerWaalsContact O-N 3.16Å; G111-G113 PolarHBondContact O-N 3.3Å; G111-S116 PolarHBondContact O-OG 3.33Å
112F93.1Very high92.7Very high41 Ų4139.8 Ų39.818%0.1823%0.227CC..  trans-67.2129.9174.4-81.7-119.5000111.1N107 L110 S116 Q117 L121 I297N107-F112 HydrophobicContact CB-CB 4.12Å; N107-F112 HydrophobicContact CB-CD1 4.1Å; N107-F112 HydrophobicContact CB-CD2 3.77Å; N107-F112 HydrophobicContact CB-CE1 4.49Å; N107-F112 HydrophobicContact CB-CE2 4.18Å; N107-F112 HydrophobicContact CB-CG 3.73Å; N107-F112 WeakPolarHBondContact O-CB 3.43Å; N107-F112 WeakPolarHBondContact O-CD2 3.43Å; N107-F112 PolarHBondContact O-N 2.86Å; L110-F112 HydrophobicContact CB-CD2 4.1Å; L110-F112 HydrophobicContact CB-CE2 4.34Å; F112-S116 CarbonylContact C-O 3.46Å; F112-S116 VanDerWaalsContact CA-O 3.22Å; F112-S116 WeakPolarHBondContact CA-O 3.34Å; F112-Q117 HydrophobicContact CD1-CB 4.32Å; F112-Q117 WeakPolarHBondContact CE1-O 3.41Å; F112-L121 HydrophobicContact CE1-CB 4.34Å; F112-I297 HydrophobicContact CD2-CD1 3.78Å; F112-I297 HydrophobicContact CD2-CG1 4.48Å; F112-I297 HydrophobicContact CE1-CG2 4.36Å; F112-I297 HydrophobicContact CE2-CD1 3.87Å; F112-I297 HydrophobicContact CE2-CG1 4.14Å; F112-I297 HydrophobicContact CE2-CG2 3.81Å; F112-I297 HydrophobicContact CG-CD1 4.32Å; F112-I297 HydrophobicContact CZ-CD1 4.46Å; F112-I297 HydrophobicContact CZ-CG2 3.6Å
113G92.9Very high92.8Very high24 Ų2443 Ų4325%0.24724%0.236CC..BIsolated β-bridgetrans-148.1178.6179.100000112G111 R115 S116 Q117G111-G113 PolarHBondContact O-N 3.3Å; G113-R115 PolarHBondContact O-N 3.12Å; G113-S116 WeakPolarHBondContact CA-OG 2.93Å; G113-S116 PolarHBondContact N-O 2.83Å; G113-S116 PolarHBondContact N-OG 2.97Å; G113-S116 CarbonylContact O-C 3.52Å; G113-S116 PolarHBondContact O-N 3.29Å; G113-S116 VanDerWaalsContact O-N 3.09Å; G113-Q117 WeakPolarHBondContact O-CG 3.23Å
114P91.9Very high93.1Very high107 Ų10742.1 Ų42.170%0.69522%0.223SC*.THydrogen-bonded Turntrans-54.7-31.5-175.5-28.235.9000114.7Q117P114-Q117 PolarHBondContact O-NE2 3Å
115R93.9Very high93.4Very high78 Ų7840.9 Ų40.929%0.29422%0.219SC..THydrogen-bonded Turntrans-113.78.2179.4-57.2-60.2179.4165.4-2.7114.1G113 E287 S289 N291G113-R115 PolarHBondContact O-N 3.12Å; R115-E287 WeakPolarHBondContact CD-O 3.25Å; R115-E287 PolarHBondContact NE-O 3.35Å; R115-E287 PolarHBondContact NH1-O 2.97Å; R115-S289 WeakPolarHBondContact O-CA 3.26Å; R115-S289 WeakPolarHBondContact O-CB 3.22Å; R115-N291 PolarHBondContact O-ND2 3.5Å
116S96.3Very high93.7Very high13 Ų1343.1 Ų43.19%0.09123%0.233CC..BIsolated β-bridgetrans-134.280.8179.952.30000109.3G111 F112 G113 N294G111-S116 PolarHBondContact O-OG 3.33Å; F112-S116 CarbonylContact C-O 3.46Å; F112-S116 VanDerWaalsContact CA-O 3.22Å; F112-S116 WeakPolarHBondContact CA-O 3.34Å; G113-S116 WeakPolarHBondContact CA-OG 2.93Å; G113-S116 PolarHBondContact N-O 2.83Å; G113-S116 PolarHBondContact N-OG 2.97Å; G113-S116 CarbonylContact O-C 3.52Å; G113-S116 PolarHBondContact O-N 3.29Å; G113-S116 VanDerWaalsContact O-N 3.09Å; S116-N294 VanDerWaalsContact CA-OD1 3.3Å; S116-N294 WeakPolarHBondContact CA-OD1 3.48Å
117Q96.4Very high94Very high36 Ų3643.5 Ų43.517%0.16824%0.236CC..  trans-127.84.1-175-50.6-178.435.300113.5F112 G113 P114 A122 N294F112-Q117 HydrophobicContact CD1-CB 4.32Å; F112-Q117 WeakPolarHBondContact CE1-O 3.41Å; G113-Q117 WeakPolarHBondContact O-CG 3.23Å; P114-Q117 PolarHBondContact O-NE2 3Å; Q117-A122 HydrophobicContact CB-CB 3.59Å; Q117-A122 WeakPolarHBondContact O-CB 3.44Å; Q117-A122 PolarHBondContact O-N 2.88Å; Q117-N294 PolarHBondContact N-OD1 2.87Å
118G97.3Very high94.4Very high1 Ų143.8 Ų43.81%0.0124%0.237CC..  trans63.4-140.7-171.700000112.4N294G118-N294 PolarHBondContact N-OD1 2.8Å
119V97.9Very high94.9Very high9 Ų943.6 Ų43.66%0.05523%0.23CC..SBendtrans-125.9-38.5177.3-175.50000111.7Q131 R132 V298 D301 R441 L444V119-Q131 HydrophobicContact CG2-CB 3.64Å; V119-R132 HydrophobicContact CG1-CB 4.37Å; V119-V298 HydrophobicContact CG2-CG2 4.45Å; V119-D301 PolarHBondContact N-OD2 2.84Å; V119-R441 PolarHBondContact O-NH1 2.5Å; V119-R441 VanDerWaalsContact O-NH1 3.13Å; V119-L444 HydrophobicContact CB-CD2 4.49Å; V119-L444 HydrophobicContact CG1-CD2 3.57Å
120F96Very high95.5Very high75 Ų7543.8 Ų43.833%0.32923%0.227SC..SBendtrans-69-54.5-168.8-173.7-109000112.1R101 D301 V374 F483R101-F120 PolarHBondContact NE-O 3.4Å; F120-D301 HydrophobicContact CB-CB 4.39Å; F120-D301 WeakPolarHBondContact CB-OD2 3.41Å; F120-D301 PolarHBondContact N-OD2 2.77Å; F120-V374 HydrophobicContact CE1-CG1 4.34Å; F120-V374 HydrophobicContact CE2-CG1 4.38Å; F120-V374 HydrophobicContact CE2-CG2 3.77Å; F120-V374 HydrophobicContact CZ-CB 4.42Å; F120-V374 HydrophobicContact CZ-CG1 3.9Å; F120-V374 HydrophobicContact CZ-CG2 3.59Å; F120-F483 HydrophobicContact CZ-CZ 4.21Å
121L95.7Very high96Very high38 Ų3843.2 Ų43.220%0.19922%0.224CC..SBendtrans-98.6-3.1179.6-61.7-179.7000114.1N107 F112 R123N107-L121 WeakPolarHBondContact ND2-CD1 3.42Å; F112-L121 HydrophobicContact CE1-CB 4.34Å; L121-R123 PolarHBondContact O-N 2.92Å
122A97.4Very high96.4Very high0 Ų044 Ų440%022%0.217CC..PPolyproline II helixtrans-54138.3179.700000111.7Q117 W128 R441Q117-A122 HydrophobicContact CB-CB 3.59Å; Q117-A122 WeakPolarHBondContact O-CB 3.44Å; Q117-A122 PolarHBondContact O-N 2.88Å; A122-W128 HydrophobicContact CB-CB 3.78Å; A122-W128 HydrophobicContact CB-CG 4.26Å; A122-R441 PolarHBondContact O-NH1 2.72Å; A122-R441 PolarHBondContact O-NH2 2.99Å
123R97.6Very high96.7Very high90 Ų9051.8 Ų51.834%0.3425%0.245SC..PPolyproline II helixtrans-67.6151.3175-63.4-65.6-60.7-94.3-4.6110.9D100 R101 L121 G125 W128D100-R123 WeakPolarHBondContact OD1-CA 3.29Å; D100-R123 WeakPolarHBondContact OD1-CD 3.45Å; D100-R123 IonicContact OD1-CZ 3.96Å; D100-R123 IonicContact OD1-NE 3.54Å; D100-R123 PolarHBondContact OD1-NE 3.46Å; D100-R123 IonicContact OD1-NH2 3.91Å; D100-R123 IonicContact OD2-CZ 2.72Å; D100-R123 IonicContact OD2-NE 2.61Å; D100-R123 PolarHBondContact OD2-NE 3.1Å; D100-R123 VanDerWaalsContact OD2-NE 3.15Å; D100-R123 IonicContact OD2-NH2 3.33Å; D100-R123 PolarHBondContact OD2-NH2 2.75Å; R101-R123 WeakPolarHBondContact O-CD 3.49Å; R101-R123 PolarHBondContact O-NE 3.22Å; L121-R123 PolarHBondContact O-N 2.92Å; R123-G125 PolarHBondContact O-N 3.39Å; R123-G125 VanDerWaalsContact O-N 3.17Å; R123-W128 WeakPolarHBondContact O-CB 3.35Å
124Y97.9Very high96.9Very high57 Ų5751.6 Ų51.622%0.22424%0.238CC..THydrogen-bonded Turntrans-65.1118177.2-175.4-114.8000110.3E96 A99 D100 W128 R440E96-Y124 WeakPolarHBondContact O-CE1 3.48Å; A99-Y124 HydrophobicContact CB-CD2 3.47Å; A99-Y124 VanDerWaalsContact CB-CD2 3.47Å; A99-Y124 HydrophobicContact CB-CE2 3.61Å; A99-Y124 HydrophobicContact CB-CG 4.06Å; D100-Y124 PolarHBondContact OD1-N 2.65Å; Y124-W128 AromaticContact CD2-CE3 3.61Å; Y124-W128 HydrophobicContact CD2-CE3 3.61Å; Y124-W128 HydrophobicContact CD2-CH2 4.48Å; Y124-W128 AromaticContact CD2-CZ3 3.57Å; Y124-W128 HydrophobicContact CD2-CZ3 3.57Å; Y124-W128 AromaticContact CE2-CE3 3.99Å; Y124-W128 HydrophobicContact CE2-CE3 3.99Å; Y124-W128 HydrophobicContact CE2-CH2 4.39Å; Y124-W128 AromaticContact CE2-CZ3 3.5Å; Y124-W128 HydrophobicContact CE2-CZ3 3.5Å; Y124-W128 VanDerWaalsContact CE2-CZ3 3.5Å; Y124-R440 PolarHBondContact OH-NH1 3.49Å
125G96.8Very high97.1Very high14 Ų1446.5 Ų46.514%0.14420%0.204CC..THydrogen-bonded Turntrans171.7-174.8-171.400000112.4R123 A127 W128 R129R123-G125 PolarHBondContact O-N 3.39Å; R123-G125 VanDerWaalsContact O-N 3.17Å; G125-A127 PolarHBondContact O-N 2.99Å; G125-W128 PolarHBondContact O-N 3.02Å; G125-R129 WeakPolarHBondContact O-CB 3.13Å; G125-R129 WeakPolarHBondContact O-CG 3.45Å; G125-R129 PolarHBondContact O-N 2.88Å
126P96.8Very high97.2Very high74 Ų7445.6 Ų45.648%0.48121%0.207SC..Hα-helixtrans-60.8-42.2-179.623.3-32.4000112.7W128 R129 E130P126-W128 PolarHBondContact O-N 2.8Å; P126-R129 PolarHBondContact O-N 3.49Å; P126-E130 WeakPolarHBondContact O-CB 3.19Å; P126-E130 PolarHBondContact O-N 3.39Å
127A95.8Very high97Very high7 Ų746.7 Ų46.76%0.05822%0.215CC..Hα-helixtrans-58.3-49.3179.100000112.2G125 Q131G125-A127 PolarHBondContact O-N 2.99Å; A127-Q131 WeakPolarHBondContact O-CG 3.35Å; A127-Q131 PolarHBondContact O-N 3.15Å; A127-Q131 VanDerWaalsContact O-N 3.14Å
128W98.3Very high96.9Very high11 Ų1145.6 Ų45.64%0.04221%0.211CC..Hα-helixtrans-63.5-43.3175.217071000112.3A122 R123 Y124 G125 P126 E130 Q131 R132 R440 R441A122-W128 HydrophobicContact CB-CB 3.78Å; A122-W128 HydrophobicContact CB-CG 4.26Å; R123-W128 WeakPolarHBondContact O-CB 3.35Å; Y124-W128 AromaticContact CD2-CE3 3.61Å; Y124-W128 HydrophobicContact CD2-CE3 3.61Å; Y124-W128 HydrophobicContact CD2-CH2 4.48Å; Y124-W128 AromaticContact CD2-CZ3 3.57Å; Y124-W128 HydrophobicContact CD2-CZ3 3.57Å; Y124-W128 AromaticContact CE2-CE3 3.99Å; Y124-W128 HydrophobicContact CE2-CE3 3.99Å; Y124-W128 HydrophobicContact CE2-CH2 4.39Å; Y124-W128 AromaticContact CE2-CZ3 3.5Å; Y124-W128 HydrophobicContact CE2-CZ3 3.5Å; Y124-W128 VanDerWaalsContact CE2-CZ3 3.5Å; G125-W128 PolarHBondContact O-N 3.02Å; P126-W128 PolarHBondContact O-N 2.8Å; W128-E130 PolarHBondContact O-N 2.99Å; W128-Q131 PolarHBondContact O-N 2.89Å; W128-R132 HydrophobicContact CH2-CG 4.47Å; W128-R132 HydrophobicContact CZ2-CB 4.17Å; W128-R132 HydrophobicContact CZ2-CG 3.89Å; W128-R132 WeakPolarHBondContact O-CB 3.49Å; W128-R132 PolarHBondContact O-N 3.09Å; W128-R440 HydrophobicContact CH2-CB 4.04Å; W128-R440 WeakPolarHBondContact CZ2-O 3.43Å; W128-R441 VanDerWaalsContact CD1-CZ 3.46Å; W128-R441 HydrophobicContact CZ2-CG 4.29Å; W128-R441 VanDerWaalsContact NE1-CZ 3.31Å; W128-R441 VanDerWaalsContact NE1-NH1 3.15Å
129R98.1Very high96.4Very high131 Ų13145.7 Ų45.749%0.49421%0.212SC..Hα-helixtrans-62.9-41.7-179.3-80.7-174-90.6131-8.4112.1G125 P126 R133G125-R129 WeakPolarHBondContact O-CB 3.13Å; G125-R129 WeakPolarHBondContact O-CG 3.45Å; G125-R129 PolarHBondContact O-N 2.88Å; P126-R129 PolarHBondContact O-N 3.49Å; R129-R133 WeakPolarHBondContact O-CB 3.42Å; R129-R133 PolarHBondContact O-N 3.21Å
130E98.3Very high95.9Very high70 Ų7052.2 Ų52.233%0.32724%0.235SC..Hα-helixtrans-61.5-53.7176.9-177.8167.9-113.100110.5P126 W128 R133 F134 S289 F290P126-E130 WeakPolarHBondContact O-CB 3.19Å; P126-E130 PolarHBondContact O-N 3.39Å; W128-E130 PolarHBondContact O-N 2.99Å; E130-R133 PolarHBondContact O-N 2.96Å; E130-F134 WeakPolarHBondContact O-CB 3.31Å; E130-F134 PolarHBondContact O-N 3.25Å; E130-S289 WeakPolarHBondContact OE2-CA 3.26Å; E130-S289 VanDerWaalsContact OE2-CB 3.28Å; E130-S289 WeakPolarHBondContact OE2-CB 3.28Å; E130-S289 PolarHBondContact OE2-N 2.93Å; E130-S289 PolarHBondContact OE2-OG 3Å; E130-F290 HydrophobicContact CG-CD2 4.31Å; E130-F290 HydrophobicContact CG-CE2 3.57Å; E130-F290 HydrophobicContact CG-CZ 4.1Å
131Q98.4Very high95.5Very high0 Ų052.8 Ų52.80%024%0.241CC..Hα-helixtrans-66.8-41-179.5-65.2-56.3-33.700113.1V119 A127 W128 R133 F134 S135 F275 S289 N294 V298V119-Q131 HydrophobicContact CG2-CB 3.64Å; A127-Q131 WeakPolarHBondContact O-CG 3.35Å; A127-Q131 PolarHBondContact O-N 3.15Å; A127-Q131 VanDerWaalsContact O-N 3.14Å; W128-Q131 PolarHBondContact O-N 2.89Å; Q131-R133 PolarHBondContact O-N 2.94Å; Q131-F134 PolarHBondContact O-N 2.85Å; Q131-S135 PolarHBondContact O-N 3.24Å; Q131-S135 PolarHBondContact O-OG 2.63Å; Q131-S135 VanDerWaalsContact O-OG 3.07Å; Q131-F275 VanDerWaalsContact OE1-CE2 3.24Å; Q131-S289 WeakPolarHBondContact CG-OG 3.38Å; Q131-S289 PolarHBondContact NE2-O 2.97Å; Q131-S289 PolarHBondContact NE2-OG 3.4Å; Q131-N294 WeakPolarHBondContact CG-ND2 3.25Å; Q131-N294 PolarHBondContact NE2-ND2 2.79Å; Q131-V298 HydrophobicContact CG-CG2 4.25Å
132R98.3Very high94.7Very high47 Ų4752 Ų5218%0.17724%0.238CC..Hα-helixtrans-59.9-45.8174.8175.861.9-178.8-141.31.6111.3V119 W128 V136 A442 L444V119-R132 HydrophobicContact CG1-CB 4.37Å; W128-R132 HydrophobicContact CH2-CG 4.47Å; W128-R132 HydrophobicContact CZ2-CB 4.17Å; W128-R132 HydrophobicContact CZ2-CG 3.89Å; W128-R132 WeakPolarHBondContact O-CB 3.49Å; W128-R132 PolarHBondContact O-N 3.09Å; R132-V136 WeakPolarHBondContact O-CB 3.4Å; R132-V136 VanDerWaalsContact O-CG2 3.24Å; R132-V136 WeakPolarHBondContact O-CG2 3.47Å; R132-V136 PolarHBondContact O-N 3.44Å; R132-A442 VanDerWaalsContact CZ-O 3.23Å; R132-A442 PolarHBondContact NH1-O 2.83Å; R132-A442 PolarHBondContact NH2-O 3.23Å; R132-L444 VanDerWaalsContact CZ-CB 3.42Å
133R97.9Very high93.1Very high205 Ų20552.1 Ų52.177%0.77424%0.238SC*.Hα-helixtrans-65-43.4178.4-178.2179.5178.7178.8-0.2110.8R129 E130 Q131 S137R129-R133 WeakPolarHBondContact O-CB 3.42Å; R129-R133 PolarHBondContact O-N 3.21Å; E130-R133 PolarHBondContact O-N 2.96Å; Q131-R133 PolarHBondContact O-N 2.94Å; R133-S137 VanDerWaalsContact O-CB 3.24Å; R133-S137 WeakPolarHBondContact O-CB 3.32Å; R133-S137 PolarHBondContact O-N 2.97Å
134F97.9Very high91.2Very high20 Ų2049.6 Ų49.69%0.08823%0.231CC..Hα-helixtrans-57.1-58.9175171.5-98.7000110.9E130 Q131 V136 S137 T138 L271 A274 F275 E278 F290E130-F134 WeakPolarHBondContact O-CB 3.31Å; E130-F134 PolarHBondContact O-N 3.25Å; Q131-F134 PolarHBondContact O-N 2.85Å; F134-V136 PolarHBondContact O-N 3.06Å; F134-S137 PolarHBondContact O-N 3.27Å; F134-S137 VanDerWaalsContact O-N 3.15Å; F134-T138 WeakPolarHBondContact CE2-OG1 3.48Å; F134-T138 HydrophobicContact CZ-CG2 4.49Å; F134-T138 VanDerWaalsContact O-CB 3.32Å; F134-T138 WeakPolarHBondContact O-CB 3.46Å; F134-T138 PolarHBondContact O-N 3.31Å; F134-T138 PolarHBondContact O-OG1 3.35Å; F134-L271 HydrophobicContact CE1-CD1 4.26Å; F134-L271 HydrophobicContact CE1-CD2 3.98Å; F134-L271 HydrophobicContact CE1-CG 3.82Å; F134-L271 HydrophobicContact CZ-CG 4.22Å; F134-A274 HydrophobicContact CE2-CB 4.01Å; F134-A274 HydrophobicContact CZ-CB 3.95Å; F134-F275 HydrophobicContact CD1-CD2 4.2Å; F134-F275 HydrophobicContact CE1-CB 4.13Å; F134-F275 AromaticContact CE1-CD2 3.65Å; F134-F275 HydrophobicContact CE1-CD2 3.65Å; F134-F275 HydrophobicContact CE1-CG 4.35Å; F134-F275 HydrophobicContact CZ-CB 3.76Å; F134-F275 HydrophobicContact CZ-CD2 4.07Å; F134-F275 HydrophobicContact CZ-CG 4.34Å; F134-E278 HydrophobicContact CD2-CG 4.4Å; F134-E278 HydrophobicContact CE2-CG 4.25Å; F134-F290 HydrophobicContact CB-CE1 4.19Å; F134-F290 HydrophobicContact CB-CZ 3.9Å; F134-F290 HydrophobicContact CD1-CE1 4.16Å; F134-F290 AromaticContact CD2-CE1 3.65Å; F134-F290 HydrophobicContact CD2-CE1 3.65Å; F134-F290 AromaticContact CD2-CZ 3.78Å; F134-F290 HydrophobicContact CD2-CZ 3.78Å; F134-F290 HydrophobicContact CE2-CE1 4.05Å; F134-F290 AromaticContact CG-CE1 3.72Å; F134-F290 HydrophobicContact CG-CE1 3.72Å; F134-F290 AromaticContact CG-CZ 3.87Å; F134-F290 HydrophobicContact CG-CZ 3.87Å; F134-F290 HydrophobicContact CZ-CE1 4.48Å
135S96.7Very high88.9Confident0 Ų050.9 Ų50.90%026%0.262CS..Hα-helixtrans-57.8-45-177.8-54.70000112.4Q131 T138 L139Q131-S135 PolarHBondContact O-N 3.24Å; Q131-S135 PolarHBondContact O-OG 2.63Å; Q131-S135 VanDerWaalsContact O-OG 3.07Å; S135-T138 PolarHBondContact O-N 3.21Å; S135-L139 VanDerWaalsContact O-CB 3.25Å; S135-L139 WeakPolarHBondContact O-CB 3.4Å; S135-L139 WeakPolarHBondContact O-CD1 3.48Å; S135-L139 VanDerWaalsContact O-CG 3.24Å; S135-L139 WeakPolarHBondContact O-CG 3.34Å; S135-L139 PolarHBondContact O-N 3.42Å
136V94.9Very high87.1Confident59 Ų5956 Ų5636%0.35828%0.281SS..Hα-helixtrans-63.1-45.3178.2170.10000111.5R132 F134 R140 L444R132-V136 WeakPolarHBondContact O-CB 3.4Å; R132-V136 VanDerWaalsContact O-CG2 3.24Å; R132-V136 WeakPolarHBondContact O-CG2 3.47Å; R132-V136 PolarHBondContact O-N 3.44Å; F134-V136 PolarHBondContact O-N 3.06Å; V136-R140 WeakPolarHBondContact O-CB 3.41Å; V136-R140 PolarHBondContact O-N 2.73Å; V136-R140 VanDerWaalsContact O-N 3.14Å; V136-L444 HydrophobicContact CG2-CB 3.85Å
137S93.7Very high85.5Confident37 Ų3760 Ų6026%0.25929%0.29SS..Hα-helixtrans-67.3-41.3179.6-171.90000111.7R133 F134 R140 N141R133-S137 VanDerWaalsContact O-CB 3.24Å; R133-S137 WeakPolarHBondContact O-CB 3.32Å; R133-S137 PolarHBondContact O-N 2.97Å; F134-S137 PolarHBondContact O-N 3.27Å; F134-S137 VanDerWaalsContact O-N 3.15Å; S137-R140 PolarHBondContact O-N 3.06Å; S137-N141 WeakPolarHBondContact O-CB 3.37Å; S137-N141 PolarHBondContact O-N 3.34Å; S137-N141 PolarHBondContact O-ND2 3.25Å; S137-N141 PolarHBondContact O-OD1 3.24Å
138T92.6Very high84.5Confident13 Ų1361.8 Ų61.88%0.0830%0.302CS..Hα-helixtrans-67.4-45.9-179.3-60.50000111F134 S135 R140 N141 L142 L271 A274F134-T138 WeakPolarHBondContact CE2-OG1 3.48Å; F134-T138 HydrophobicContact CZ-CG2 4.49Å; F134-T138 VanDerWaalsContact O-CB 3.32Å; F134-T138 WeakPolarHBondContact O-CB 3.46Å; F134-T138 PolarHBondContact O-N 3.31Å; F134-T138 PolarHBondContact O-OG1 3.35Å; S135-T138 PolarHBondContact O-N 3.21Å; T138-R140 VanDerWaalsContact C-N 3.28Å; T138-R140 PolarHBondContact O-N 3.22Å; T138-N141 PolarHBondContact O-N 2.96Å; T138-N141 VanDerWaalsContact O-N 3.11Å; T138-L142 HydrophobicContact CG2-CD1 3.62Å; T138-L142 HydrophobicContact CG2-CG 4.14Å; T138-L142 WeakPolarHBondContact O-CB 3.3Å; T138-L142 WeakPolarHBondContact O-CG 3.44Å; T138-L142 PolarHBondContact O-N 2.93Å; T138-L271 HydrophobicContact CG2-CB 3.96Å; T138-L271 HydrophobicContact CG2-CD1 4.08Å; T138-L271 HydrophobicContact CG2-CG 3.98Å; T138-A274 HydrophobicContact CG2-CB 4.09Å
139L88.3Confident83.7Confident3 Ų361.3 Ų61.32%0.01630%0.3CS..Hα-helixtrans-52.5-46.2171.1-81.5166000111.8S135 G143 L144 L189 L444 L448S135-L139 VanDerWaalsContact O-CB 3.25Å; S135-L139 WeakPolarHBondContact O-CB 3.4Å; S135-L139 WeakPolarHBondContact O-CD1 3.48Å; S135-L139 VanDerWaalsContact O-CG 3.24Å; S135-L139 WeakPolarHBondContact O-CG 3.34Å; S135-L139 PolarHBondContact O-N 3.42Å; L139-G143 PolarHBondContact O-N 3.02Å; L139-L144 HydrophobicContact CB-CD1 3.66Å; L139-L144 HydrophobicContact CB-CG 4.18Å; L139-L144 PolarHBondContact O-N 3.19Å; L139-L189 HydrophobicContact CD2-CD1 3.81Å; L139-L189 HydrophobicContact CD2-CD2 3.28Å; L139-L189 HydrophobicContact CD2-CG 4.16Å; L139-L189 HydrophobicContact CG-CD2 4.39Å; L139-L444 HydrophobicContact CD1-CD1 3.64Å; L139-L448 HydrophobicContact CD2-CD2 4.29Å
140R87.1Confident83.2Confident146 Ų14656.6 Ų56.655%0.55128%0.284SS*.Hα-helixtrans-66-40.8177.2-174-174.861.9-176-3.5113.2V136 S137 T138 L144V136-R140 WeakPolarHBondContact O-CB 3.41Å; V136-R140 PolarHBondContact O-N 2.73Å; V136-R140 VanDerWaalsContact O-N 3.14Å; S137-R140 PolarHBondContact O-N 3.06Å; T138-R140 VanDerWaalsContact C-N 3.28Å; T138-R140 PolarHBondContact O-N 3.22Å; R140-L144 HydrophobicContact CB-CB 4.45Å
141N86.3Confident82.6Confident86 Ų8658.4 Ų58.446%0.4629%0.292SS..Hα-helixtrans-69.7-40.6-177.8-71.4-10.2000112.2S137 T138 K146S137-N141 WeakPolarHBondContact O-CB 3.37Å; S137-N141 PolarHBondContact O-N 3.34Å; S137-N141 PolarHBondContact O-ND2 3.25Å; S137-N141 PolarHBondContact O-OD1 3.24Å; T138-N141 PolarHBondContact O-N 2.96Å; T138-N141 VanDerWaalsContact O-N 3.11Å; N141-K146 PolarHBondContact O-NZ 3.22Å
142L78.8Confident82.2Confident23 Ų2361.8 Ų61.812%0.1231%0.305CS..Hα-helixtrans-77.8-23.1-179.4-67177.6000113.2T138 S148 L189 R269 L271T138-L142 HydrophobicContact CG2-CD1 3.62Å; T138-L142 HydrophobicContact CG2-CG 4.14Å; T138-L142 WeakPolarHBondContact O-CB 3.3Å; T138-L142 WeakPolarHBondContact O-CG 3.44Å; T138-L142 PolarHBondContact O-N 2.93Å; L142-S148 PolarHBondContact O-OG 2.98Å; L142-L189 HydrophobicContact CB-CD1 4.41Å; L142-L189 HydrophobicContact CD1-CD1 3.85Å; L142-R269 WeakPolarHBondContact CD2-O 2.99Å; L142-L271 HydrophobicContact CD1-CB 4.5Å
143G63.8Low82Confident1 Ų159.6 Ų59.61%0.0130%0.297CS..THydrogen-bonded Turntrans-169.1-38.5-165.200000120.1L139 G145 K146L139-G143 PolarHBondContact O-N 3.02Å; G143-G145 PolarHBondContact O-N 2.82Å; G143-K146 PolarHBondContact O-N 3.24Å; G143-K146 VanDerWaalsContact O-N 3.14Å
144L58.6Low81.8Confident37 Ų3750.5 Ų50.519%0.19427%0.265CS..THydrogen-bonded Turntrans-70.998.2-174.9-52.9171000110L139 R140 L149 P447 L448L139-L144 HydrophobicContact CB-CD1 3.66Å; L139-L144 HydrophobicContact CB-CG 4.18Å; L139-L144 PolarHBondContact O-N 3.19Å; R140-L144 HydrophobicContact CB-CB 4.45Å; L144-L149 HydrophobicContact CD2-CD2 3.99Å; L144-P447 HydrophobicContact CD1-CB 3.63Å; L144-P447 HydrophobicContact CD1-CG 4Å; L144-P447 HydrophobicContact CD2-CB 3.58Å; L144-P447 HydrophobicContact CG-CB 4.09Å; L144-L448 HydrophobicContact CD2-CB 4.14Å
145G50.5Low81.6Confident85 Ų8553.5 Ų53.588%0.87628%0.279SS*.THydrogen-bonded Turntrans101.87.6-178.600000115.7G143G143-G145 PolarHBondContact O-N 2.82Å
146K58.8Low81.6Confident122 Ų12253.9 Ų53.953%0.5328%0.281SS..SBendtrans-123.4151.3172.5-64.7-179.8-174168.20110.3N141 G143 S148N141-K146 PolarHBondContact O-NZ 3.22Å; G143-K146 PolarHBondContact O-N 3.24Å; G143-K146 VanDerWaalsContact O-N 3.14Å; K146-S148 PolarHBondContact O-N 3.11Å
147K62.6Low81.8Confident158 Ų15851.1 Ų51.169%0.68726%0.264SS*.Hα-helixtrans-60.8-13.3-178.6-70.3-165.9171.2-163.60115.3Q151K147-Q151 WeakPolarHBondContact O-CB 3.5Å; K147-Q151 PolarHBondContact O-N 2.82Å
148S74.7Confident81.9Confident44 Ų4450.4 Ų50.431%0.30826%0.26SS..Hα-helixtrans-67.3-48.7-175.246.40000114L142 K146 Q151 W152L142-S148 PolarHBondContact O-OG 2.98Å; K146-S148 PolarHBondContact O-N 3.11Å; S148-Q151 WeakPolarHBondContact O-CB 3.12Å; S148-Q151 PolarHBondContact O-N 3.47Å; S148-W152 PolarHBondContact O-N 3.29Å
149L81.4Confident82.2Confident0 Ų051.9 Ų51.90%027%0.271CS..Hα-helixtrans-78.9-35.3-178-177103.6000111.6L144 Q151 W152 V153 L189 L448 M451L144-L149 HydrophobicContact CD2-CD2 3.99Å; L149-Q151 VanDerWaalsContact C-N 3.27Å; L149-Q151 PolarHBondContact O-N 3.47Å; L149-W152 HydrophobicContact CD1-CE3 4.16Å; L149-W152 HydrophobicContact CD1-CZ3 4.39Å; L149-W152 PolarHBondContact O-N 2.89Å; L149-V153 WeakPolarHBondContact O-CG2 3.43Å; L149-V153 PolarHBondContact O-N 3.2Å; L149-L189 HydrophobicContact CD1-CD1 4.29Å; L149-L448 HydrophobicContact CD1-CD1 4.47Å; L149-L448 HydrophobicContact CD2-CD1 3.9Å; L149-L448 HydrophobicContact CG-CD1 4.42Å; L149-M451 HydrophobicContact CB-CE 4.43Å; L149-M451 HydrophobicContact CD2-CE 3.13Å; L149-M451 HydrophobicContact CD2-SD 3.93Å; L149-M451 HydrophobicContact CG-CE 3.59Å
150E87.4Confident82.7Confident33 Ų3351.8 Ų51.815%0.15427%0.27CS..Hα-helixtrans-57-42.6168.5178.3176.4-179.800111.3V153 T154 E346 M347 M451 L455E150-V153 PolarHBondContact O-N 2.97Å; E150-T154 VanDerWaalsContact O-CB 3.31Å; E150-T154 WeakPolarHBondContact O-CB 3.49Å; E150-T154 PolarHBondContact O-N 3.13Å; E150-T154 PolarHBondContact O-OG1 3.37Å; E150-E346 VanDerWaalsContact OE1-CA 3.3Å; E150-E346 WeakPolarHBondContact OE1-CA 3.38Å; E150-E346 WeakPolarHBondContact OE1-CB 3.49Å; E150-M347 HydrophobicContact CG-CG 4.19Å; E150-M347 PolarHBondContact OE1-N 3.44Å; E150-M451 HydrophobicContact CB-SD 4.08Å; E150-L455 HydrophobicContact CG-CD1 4.09Å
151Q86.5Confident83.2Confident107 Ų10745 Ų4550%0.525%0.245SC..Hα-helixtrans-61.7-46.8175.9179.1177.5-7.200111.6K147 S148 L149 V153 T154 E155K147-Q151 WeakPolarHBondContact O-CB 3.5Å; K147-Q151 PolarHBondContact O-N 2.82Å; S148-Q151 WeakPolarHBondContact O-CB 3.12Å; S148-Q151 PolarHBondContact O-N 3.47Å; L149-Q151 VanDerWaalsContact C-N 3.27Å; L149-Q151 PolarHBondContact O-N 3.47Å; Q151-V153 PolarHBondContact O-N 3.34Å; Q151-T154 PolarHBondContact O-N 3.13Å; Q151-E155 HydrophobicContact CG-CG 4.34Å; Q151-E155 VanDerWaalsContact CG-OE1 3.26Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.44Å; Q151-E155 PolarHBondContact NE2-OE1 2.89Å; Q151-E155 WeakPolarHBondContact O-CB 3.32Å; Q151-E155 VanDerWaalsContact O-CG 3.31Å; Q151-E155 WeakPolarHBondContact O-CG 3.5Å; Q151-E155 PolarHBondContact O-N 3.38Å
152W89.2Confident83.7Confident72 Ų7243.2 Ų43.227%0.27324%0.242SC..Hα-helixtrans-59.4-44.8176.9-67.3-21.9000112.7S148 L149 T154 E155 E156S148-W152 PolarHBondContact O-N 3.29Å; L149-W152 HydrophobicContact CD1-CE3 4.16Å; L149-W152 HydrophobicContact CD1-CZ3 4.39Å; L149-W152 PolarHBondContact O-N 2.89Å; W152-T154 VanDerWaalsContact C-N 3.32Å; W152-T154 PolarHBondContact O-N 3.11Å; W152-E155 PolarHBondContact O-N 3.41Å; W152-E156 WeakPolarHBondContact O-CB 3.49Å; W152-E156 PolarHBondContact O-N 3.28Å
153V94.1Very high84.7Confident0 Ų042.7 Ų42.70%024%0.241CC..Hα-helixtrans-65-39.4177.7176.90000111.2L149 E150 Q151 E156 A157 V185 M451 E452 L455 F456L149-V153 WeakPolarHBondContact O-CG2 3.43Å; L149-V153 PolarHBondContact O-N 3.2Å; E150-V153 PolarHBondContact O-N 2.97Å; Q151-V153 PolarHBondContact O-N 3.34Å; V153-E156 PolarHBondContact O-N 2.8Å; V153-A157 VanDerWaalsContact O-CB 3.27Å; V153-A157 WeakPolarHBondContact O-CB 3.3Å; V153-A157 PolarHBondContact O-N 3.24Å; V153-V185 HydrophobicContact CG2-CB 4.4Å; V153-V185 HydrophobicContact CG2-CG1 3.61Å; V153-V185 HydrophobicContact CG2-CG2 3.85Å; V153-M451 HydrophobicContact CB-CE 4.3Å; V153-M451 HydrophobicContact CG2-CE 3.47Å; V153-M451 VanDerWaalsContact CG2-CE 3.47Å; V153-E452 HydrophobicContact CG1-CG 4.34Å; V153-E452 HydrophobicContact CG2-CG 4.12Å; V153-L455 HydrophobicContact CB-CD1 3.89Å; V153-L455 HydrophobicContact CG1-CB 3.8Å; V153-L455 HydrophobicContact CG1-CD1 3.68Å; V153-L455 HydrophobicContact CG1-CG 4.37Å; V153-F456 HydrophobicContact CG1-CD2 4.35Å; V153-F456 HydrophobicContact CG1-CE2 4.07Å; V153-F456 HydrophobicContact CG1-CZ 4.32Å
154T92.9Very high86.3Confident15 Ų1542.6 Ų42.69%0.09224%0.24CC..Hα-helixtrans-69.7-35.8179.1-55.50000112.3E150 Q151 W152 A158 R344E150-T154 VanDerWaalsContact O-CB 3.31Å; E150-T154 WeakPolarHBondContact O-CB 3.49Å; E150-T154 PolarHBondContact O-N 3.13Å; E150-T154 PolarHBondContact O-OG1 3.37Å; Q151-T154 PolarHBondContact O-N 3.13Å; W152-T154 VanDerWaalsContact C-N 3.32Å; W152-T154 PolarHBondContact O-N 3.11Å; T154-A158 PolarHBondContact O-N 3.22Å; T154-A158 VanDerWaalsContact O-N 3.15Å; T154-R344 HydrophobicContact CG2-CB 3.81Å; T154-R344 HydrophobicContact CG2-CG 4.31Å
155E94.5Very high88.1Confident83 Ų8344.2 Ų44.239%0.38825%0.252SS..Hα-helixtrans-64.9-47172-75.2170.6-176.100110.9Q151 W152 A157 A158 C159Q151-E155 HydrophobicContact CG-CG 4.34Å; Q151-E155 VanDerWaalsContact CG-OE1 3.26Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.44Å; Q151-E155 PolarHBondContact NE2-OE1 2.89Å; Q151-E155 WeakPolarHBondContact O-CB 3.32Å; Q151-E155 VanDerWaalsContact O-CG 3.31Å; Q151-E155 WeakPolarHBondContact O-CG 3.5Å; Q151-E155 PolarHBondContact O-N 3.38Å; W152-E155 PolarHBondContact O-N 3.41Å; E155-A157 VanDerWaalsContact C-N 3.33Å; E155-A157 PolarHBondContact O-N 2.98Å; E155-A158 WeakPolarHBondContact O-CB 3.47Å; E155-A158 PolarHBondContact O-N 3.07Å; E155-A158 VanDerWaalsContact O-N 3.08Å; E155-C159 PolarHBondContact O-N 2.74Å; E155-C159 VanDerWaalsContact O-N 3.07Å
156E97.6Very high90.3Very high8 Ų845.7 Ų45.74%0.03724%0.24CC..Hα-helixtrans-67.8-34178.8-16756.8-144.600112W152 V153 A158 C159 L160 A181 N184 V185 R194 Y197 F456W152-E156 WeakPolarHBondContact O-CB 3.49Å; W152-E156 PolarHBondContact O-N 3.28Å; V153-E156 PolarHBondContact O-N 2.8Å; E156-A158 VanDerWaalsContact C-N 3.26Å; E156-A158 PolarHBondContact O-N 2.81Å; E156-C159 WeakPolarHBondContact O-CB 3.14Å; E156-C159 PolarHBondContact O-N 3.42Å; E156-L160 PolarHBondContact O-N 3.35Å; E156-A181 HydrophobicContact CG-CB 4.19Å; E156-A181 VanDerWaalsContact CG-O 3.29Å; E156-A181 WeakPolarHBondContact CG-O 3.31Å; E156-N184 HydrophobicContact CG-CB 3.8Å; E156-N184 PolarHBondContact OE1-ND2 3.02Å; E156-N184 WeakPolarHBondContact OE2-CB 3.23Å; E156-N184 PolarHBondContact OE2-ND2 3.27Å; E156-V185 HydrophobicContact CB-CG2 4.46Å; E156-V185 HydrophobicContact CG-CG2 4.44Å; E156-R194 IonicContact OE2-CZ 3.59Å; E156-R194 IonicContact OE2-NE 3.08Å; E156-R194 PolarHBondContact OE2-NE 3.12Å; E156-R194 VanDerWaalsContact OE2-NE 3.07Å; E156-R194 IonicContact OE2-NH2 3.68Å; E156-Y197 WeakPolarHBondContact OE1-CE1 3.42Å; E156-Y197 VanDerWaalsContact OE1-CZ 3.23Å; E156-Y197 PolarHBondContact OE1-OH 3.22Å; E156-F456 HydrophobicContact CB-CE1 4.44Å; E156-F456 HydrophobicContact CB-CZ 4.35Å; E156-F456 HydrophobicContact CG-CE1 4.4Å; E156-F456 HydrophobicContact CG-CZ 4.21Å
157A97.7Very high92.1Very high1 Ų142.5 Ų42.51%0.00823%0.227CC..Hα-helixtrans-62.9-33.8171.300000112.1V153 E155 L160 C161 F456 C459V153-A157 VanDerWaalsContact O-CB 3.27Å; V153-A157 WeakPolarHBondContact O-CB 3.3Å; V153-A157 PolarHBondContact O-N 3.24Å; E155-A157 VanDerWaalsContact C-N 3.33Å; E155-A157 PolarHBondContact O-N 2.98Å; A157-L160 PolarHBondContact O-N 3.39Å; A157-C161 WeakPolarHBondContact O-CB 3.42Å; A157-C161 PolarHBondContact O-N 2.53Å; A157-C161 PolarHBondContact O-SG 2.84Å; A157-F456 HydrophobicContact CB-CD1 3.62Å; A157-F456 HydrophobicContact CB-CE1 3.85Å; A157-C459 HydrophobicContact CB-CB 3.92Å
158A96.8Very high93.7Very high22 Ų2238.6 Ų38.618%0.18222%0.224CC..Hα-helixtrans-68.6-41.1172.900000111.8T154 E155 E156 L160 C161 A162T154-A158 PolarHBondContact O-N 3.22Å; T154-A158 VanDerWaalsContact O-N 3.15Å; E155-A158 WeakPolarHBondContact O-CB 3.47Å; E155-A158 PolarHBondContact O-N 3.07Å; E155-A158 VanDerWaalsContact O-N 3.08Å; E156-A158 VanDerWaalsContact C-N 3.26Å; E156-A158 PolarHBondContact O-N 2.81Å; A158-L160 VanDerWaalsContact C-N 3.35Å; A158-C161 PolarHBondContact O-N 3.07Å; A158-A162 PolarHBondContact O-N 3.25Å
159C98.1Very high94.6Very high44 Ų4437.8 Ų37.830%0.29722%0.222SC..Hα-helixtrans-59.9-44.1172.2-670000111.7E155 E156 C161 A162 A163E155-C159 PolarHBondContact O-N 2.74Å; E155-C159 VanDerWaalsContact O-N 3.07Å; E156-C159 WeakPolarHBondContact O-CB 3.14Å; E156-C159 PolarHBondContact O-N 3.42Å; C159-C161 PolarHBondContact O-N 3.44Å; C159-A162 WeakPolarHBondContact O-CB 3.42Å; C159-A162 PolarHBondContact O-N 3.1Å; C159-A163 PolarHBondContact O-N 3.15Å
160L98.5Very high95.3Very high1 Ų145.3 Ų45.31%0.00525%0.251CS..Hα-helixtrans-61-44.4175.9-17961.7000111.7E156 A157 A158 A162 A163 F164 L177 L178 A181 Y197 F456 L460E156-L160 PolarHBondContact O-N 3.35Å; A157-L160 PolarHBondContact O-N 3.39Å; A158-L160 VanDerWaalsContact C-N 3.35Å; L160-A162 VanDerWaalsContact C-N 3.32Å; L160-A162 PolarHBondContact O-N 3.17Å; L160-A163 PolarHBondContact O-N 3.5Å; L160-F164 HydrophobicContact CD1-CD2 3.85Å; L160-F164 HydrophobicContact CD1-CE2 3.52Å; L160-F164 HydrophobicContact CG-CD2 4.25Å; L160-F164 HydrophobicContact CG-CE2 4.12Å; L160-F164 VanDerWaalsContact O-CD2 3.31Å; L160-F164 WeakPolarHBondContact O-CD2 3.49Å; L160-F164 PolarHBondContact O-N 2.88Å; L160-L177 HydrophobicContact CD1-CB 3.82Å; L160-L177 WeakPolarHBondContact CD1-O 3.22Å; L160-L178 HydrophobicContact CD2-CD2 4.03Å; L160-A181 HydrophobicContact CB-CB 4.02Å; L160-A181 HydrophobicContact CD1-CB 4.02Å; L160-A181 HydrophobicContact CD2-CB 3.97Å; L160-A181 HydrophobicContact CG-CB 4.22Å; L160-Y197 PolarHBondContact N-OH 2.87Å; L160-F456 HydrophobicContact CD2-CD1 3.76Å; L160-F456 HydrophobicContact CD2-CE1 4.16Å; L160-L460 HydrophobicContact CD2-CD1 4.06Å; L160-L460 HydrophobicContact CD2-CD2 4.14Å; L160-L460 HydrophobicContact CD2-CG 4.33Å; L160-L460 HydrophobicContact CG-CD2 4.2Å
161C98.2Very high95.8Very high2 Ų246.8 Ų46.81%0.01426%0.263CS..Hα-helixtrans-62.6-38.5175.9-69.40000112.2A157 A158 C159 F164 T165 F464A157-C161 WeakPolarHBondContact O-CB 3.42Å; A157-C161 PolarHBondContact O-N 2.53Å; A157-C161 PolarHBondContact O-SG 2.84Å; A158-C161 PolarHBondContact O-N 3.07Å; C159-C161 PolarHBondContact O-N 3.44Å; C161-F164 PolarHBondContact O-N 2.94Å; C161-T165 PolarHBondContact O-N 3.41Å; C161-T165 PolarHBondContact O-OG1 2.93Å; C161-F464 HydrophobicContact CB-CE2 3.98Å; C161-F464 WeakPolarHBondContact O-CZ 3.32Å
162A98Very high96.4Very high49 Ų4942.6 Ų42.641%0.40524%0.243SC..Hα-helixtrans-61.8-47.6174.700000110.8A158 C159 L160 F164 T165 D166A158-A162 PolarHBondContact O-N 3.25Å; C159-A162 WeakPolarHBondContact O-CB 3.42Å; C159-A162 PolarHBondContact O-N 3.1Å; L160-A162 VanDerWaalsContact C-N 3.32Å; L160-A162 PolarHBondContact O-N 3.17Å; A162-F164 VanDerWaalsContact C-N 3.27Å; A162-F164 PolarHBondContact O-N 3.13Å; A162-T165 WeakPolarHBondContact O-CA 3.44Å; A162-T165 VanDerWaalsContact O-CB 3.26Å; A162-T165 WeakPolarHBondContact O-CB 3.49Å; A162-T165 PolarHBondContact O-N 2.88Å; A162-D166 PolarHBondContact O-N 3.45Å
163A97.9Very high96.8Very high12 Ų1246.4 Ų46.410%0.09926%0.257CS..Hα-helixtrans-62.8-30.8177.600000113.7C159 L160 Q167 L177 Y197C159-A163 PolarHBondContact O-N 3.15Å; L160-A163 PolarHBondContact O-N 3.5Å; A163-Q167 PolarHBondContact O-NE2 3.38Å; A163-L177 HydrophobicContact CB-CD1 4.13Å; A163-L177 HydrophobicContact CB-CD2 4.1Å; A163-Y197 HydrophobicContact CB-CD2 3.89Å; A163-Y197 HydrophobicContact CB-CE2 3.75Å
164F98.2Very high96.9Very high0 Ų046.4 Ų46.40%026%0.257CS..Hα-helixtrans-71.5-37.1171.4-88.4-130.7000111.8L160 C161 A162 D166 Q167 F172 P174 L177 L318 L460 F464 F466 A494L160-F164 HydrophobicContact CD1-CD2 3.85Å; L160-F164 HydrophobicContact CD1-CE2 3.52Å; L160-F164 HydrophobicContact CG-CD2 4.25Å; L160-F164 HydrophobicContact CG-CE2 4.12Å; L160-F164 VanDerWaalsContact O-CD2 3.31Å; L160-F164 WeakPolarHBondContact O-CD2 3.49Å; L160-F164 PolarHBondContact O-N 2.88Å; C161-F164 PolarHBondContact O-N 2.94Å; A162-F164 VanDerWaalsContact C-N 3.27Å; A162-F164 PolarHBondContact O-N 3.13Å; F164-D166 VanDerWaalsContact C-N 3.29Å; F164-D166 PolarHBondContact O-N 3.48Å; F164-Q167 WeakPolarHBondContact O-CB 3.27Å; F164-Q167 PolarHBondContact O-N 3.29Å; F164-F172 AromaticContact CD1-CZ 3.7Å; F164-F172 HydrophobicContact CD1-CZ 3.7Å; F164-F172 HydrophobicContact CD2-CE2 4.35Å; F164-F172 HydrophobicContact CD2-CZ 4.21Å; F164-F172 HydrophobicContact CE1-CE2 4.24Å; F164-F172 AromaticContact CE1-CZ 3.7Å; F164-F172 HydrophobicContact CE1-CZ 3.7Å; F164-F172 HydrophobicContact CE2-CE2 4.08Å; F164-F172 HydrophobicContact CE2-CZ 4.2Å; F164-F172 AromaticContact CG-CZ 3.96Å; F164-F172 HydrophobicContact CG-CZ 3.96Å; F164-F172 HydrophobicContact CZ-CE2 4.02Å; F164-F172 AromaticContact CZ-CZ 3.96Å; F164-F172 HydrophobicContact CZ-CZ 3.96Å; F164-P174 HydrophobicContact CZ-CB 3.91Å; F164-L177 HydrophobicContact CD2-CB 4.42Å; F164-L177 HydrophobicContact CD2-CD1 3.64Å; F164-L177 HydrophobicContact CE2-CB 3.8Å; F164-L177 HydrophobicContact CE2-CD1 3.7Å; F164-L177 HydrophobicContact CE2-CG 4.41Å; F164-L318 HydrophobicContact CE1-CD1 4.07Å; F164-L318 HydrophobicContact CZ-CD1 4.08Å; F164-L460 HydrophobicContact CD1-CD2 3.93Å; F164-L460 HydrophobicContact CE1-CD2 3.97Å; F164-L460 HydrophobicContact CG-CD2 4.25Å; F164-L460 HydrophobicContact CZ-CD2 4.32Å; F164-F464 HydrophobicContact CB-CD2 4.49Å; F164-F464 HydrophobicContact CB-CE1 4.33Å; F164-F464 HydrophobicContact CB-CE2 3.82Å; F164-F464 HydrophobicContact CB-CZ 3.73Å; F164-F466 AromaticContact CD1-CE1 3.73Å; F164-F466 HydrophobicContact CD1-CE1 3.73Å; F164-F466 HydrophobicContact CD1-CZ 4.07Å; F164-F466 AromaticContact CE1-CE1 3.61Å; F164-F466 HydrophobicContact CE1-CE1 3.61Å; F164-F466 AromaticContact CE1-CZ 3.97Å; F164-F466 HydrophobicContact CE1-CZ 3.97Å; F164-A494 HydrophobicContact CD1-CB 4.05Å
165T97.4Very high97Very high70 Ų7048 Ų4843%0.42927%0.265SS..Hα-helixtrans-60.9-40.4175.6-52.90000110.9C161 A162 Q167 A168 F464C161-T165 PolarHBondContact O-N 3.41Å; C161-T165 PolarHBondContact O-OG1 2.93Å; A162-T165 WeakPolarHBondContact O-CA 3.44Å; A162-T165 VanDerWaalsContact O-CB 3.26Å; A162-T165 WeakPolarHBondContact O-CB 3.49Å; A162-T165 PolarHBondContact O-N 2.88Å; T165-Q167 PolarHBondContact O-N 3.32Å; T165-Q167 VanDerWaalsContact O-N 3.16Å; T165-A168 WeakPolarHBondContact O-CA 3.33Å; T165-A168 PolarHBondContact O-N 3.17Å; T165-F464 WeakPolarHBondContact OG1-CZ 3.23Å
166D96.9Very high96.9Very high117 Ų11747.1 Ų47.163%0.62627%0.269SS*.THydrogen-bonded Turntrans-64.1-19.7180-65.2-22.6000113.6A162 F164 A168A162-D166 PolarHBondContact O-N 3.45Å; F164-D166 VanDerWaalsContact C-N 3.29Å; F164-D166 PolarHBondContact O-N 3.48Å; D166-A168 PolarHBondContact O-N 3.08Å
167Q96.5Very high96.8Very high55 Ų5547.7 Ų47.726%0.25727%0.272SS..THydrogen-bonded Turntrans-67.8-19.6172.3-53.3-54.2-43.400111.7A163 F164 T165 G169 R170 F172A163-Q167 PolarHBondContact O-NE2 3.38Å; F164-Q167 WeakPolarHBondContact O-CB 3.27Å; F164-Q167 PolarHBondContact O-N 3.29Å; T165-Q167 PolarHBondContact O-N 3.32Å; T165-Q167 VanDerWaalsContact O-N 3.16Å; Q167-G169 VanDerWaalsContact C-N 3.3Å; Q167-G169 PolarHBondContact O-N 3.15Å; Q167-R170 VanDerWaalsContact O-CB 3.23Å; Q167-R170 WeakPolarHBondContact O-CB 3.42Å; Q167-R170 WeakPolarHBondContact O-CG 3.4Å; Q167-R170 PolarHBondContact O-N 3.4Å; Q167-R170 PolarHBondContact O-NE 3.48Å; Q167-F172 HydrophobicContact CB-CD1 3.74Å; Q167-F172 HydrophobicContact CB-CE1 3.85Å; Q167-F172 HydrophobicContact CB-CG 4.32Å; Q167-F172 HydrophobicContact CG-CD1 3.63Å; Q167-F172 HydrophobicContact CG-CD2 4.01Å; Q167-F172 HydrophobicContact CG-CE1 3.67Å; Q167-F172 HydrophobicContact CG-CE2 4.06Å; Q167-F172 HydrophobicContact CG-CG 3.8Å; Q167-F172 HydrophobicContact CG-CZ 3.89Å
168A94.5Very high96.8Very high76 Ų7647.7 Ų47.763%0.62827%0.271SS*.THydrogen-bonded Turntrans5442.3174.200000113.3T165 D166 R170T165-A168 WeakPolarHBondContact O-CA 3.33Å; T165-A168 PolarHBondContact O-N 3.17Å; D166-A168 PolarHBondContact O-N 3.08Å; A168-R170 PolarHBondContact O-N 3.08Å; A168-R170 VanDerWaalsContact O-N 3.16Å
169G93.5Very high96.7Very high26 Ų2647.5 Ų47.527%0.26827%0.267SS..THydrogen-bonded Turntrans72.6-1.5-178.700000115.3Q167 C493 A494Q167-G169 VanDerWaalsContact C-N 3.3Å; Q167-G169 PolarHBondContact O-N 3.15Å; G169-C493 PolarHBondContact O-SG 2.7Å; G169-A494 WeakPolarHBondContact CA-O 3.38Å
170R97.1Very high96.5Very high159 Ų15946.7 Ų46.760%0.626%0.259SS*.  trans-67.9147.9176.4-65.8176.5-79.8-169.7-5110.6Q167 A168 F172Q167-R170 VanDerWaalsContact O-CB 3.23Å; Q167-R170 WeakPolarHBondContact O-CB 3.42Å; Q167-R170 WeakPolarHBondContact O-CG 3.4Å; Q167-R170 PolarHBondContact O-N 3.4Å; Q167-R170 PolarHBondContact O-NE 3.48Å; A168-R170 PolarHBondContact O-N 3.08Å; A168-R170 VanDerWaalsContact O-N 3.16Å; R170-F172 WeakPolarHBondContact O-CD1 3.49Å; R170-F172 PolarHBondContact O-N 2.95Å
171P97.9Very high96.5Very high64 Ų6446.7 Ų46.742%0.41626%0.259SS..  trans-60.2132.9172.6-22.834.4000111.3P469 E491 L492P171-P469 HydrophobicContact CB-CB 4.01Å; P171-P469 HydrophobicContact CB-CG 3.76Å; P171-P469 HydrophobicContact CG-CB 3.81Å; P171-P469 HydrophobicContact CG-CG 4.09Å; P171-E491 HydrophobicContact CB-CB 4.43Å; P171-L492 WeakPolarHBondContact CA-O 3.47Å
172F98.2Very high96.4Very high18 Ų1846.6 Ų46.68%0.07926%0.258CS..BIsolated β-bridgetrans-151.5164.3174.172.4-75.9000111.4F164 Q167 R170 P174 L177 E491 L492 A494F164-F172 AromaticContact CD1-CZ 3.7Å; F164-F172 HydrophobicContact CD1-CZ 3.7Å; F164-F172 HydrophobicContact CD2-CE2 4.35Å; F164-F172 HydrophobicContact CD2-CZ 4.21Å; F164-F172 HydrophobicContact CE1-CE2 4.24Å; F164-F172 AromaticContact CE1-CZ 3.7Å; F164-F172 HydrophobicContact CE1-CZ 3.7Å; F164-F172 HydrophobicContact CE2-CE2 4.08Å; F164-F172 HydrophobicContact CE2-CZ 4.2Å; F164-F172 AromaticContact CG-CZ 3.96Å; F164-F172 HydrophobicContact CG-CZ 3.96Å; F164-F172 HydrophobicContact CZ-CE2 4.02Å; F164-F172 AromaticContact CZ-CZ 3.96Å; F164-F172 HydrophobicContact CZ-CZ 3.96Å; Q167-F172 HydrophobicContact CB-CD1 3.74Å; Q167-F172 HydrophobicContact CB-CE1 3.85Å; Q167-F172 HydrophobicContact CB-CG 4.32Å; Q167-F172 HydrophobicContact CG-CD1 3.63Å; Q167-F172 HydrophobicContact CG-CD2 4.01Å; Q167-F172 HydrophobicContact CG-CE1 3.67Å; Q167-F172 HydrophobicContact CG-CE2 4.06Å; Q167-F172 HydrophobicContact CG-CG 3.8Å; Q167-F172 HydrophobicContact CG-CZ 3.89Å; R170-F172 WeakPolarHBondContact O-CD1 3.49Å; R170-F172 PolarHBondContact O-N 2.95Å; F172-P174 HydrophobicContact CE2-CB 4.19Å; F172-L177 HydrophobicContact CD2-CD1 4.41Å; F172-L177 HydrophobicContact CE2-CD1 3.92Å; F172-E491 WeakPolarHBondContact O-CA 3.39Å; F172-L492 HydrophobicContact CD1-CD1 4.25Å; F172-L492 HydrophobicContact CE1-CD1 3.56Å; F172-L492 HydrophobicContact CZ-CD1 3.78Å; F172-L492 PolarHBondContact N-O 3.24Å; F172-L492 VanDerWaalsContact N-O 3.11Å; F172-L492 PolarHBondContact O-N 2.99Å; F172-A494 HydrophobicContact CE1-CB 4.01Å; F172-A494 HydrophobicContact CZ-CB 4.4Å
173R97.7Very high96.2Very high152 Ų15244.2 Ų44.257%0.57424%0.239SC*.  trans-90.1120.7173-61-171.9180169.4-0.8109.9N175 E491R173-N175 VanDerWaalsContact C-N 3.33Å; R173-N175 PolarHBondContact O-N 2.98Å; R173-E491 HydrophobicContact CG-CG 3.77Å
174P97.3Very high96.1Very high0 Ų043.7 Ų43.70%024%0.235CC..SBendtrans-75.9-19.9-174.130.8-35.9000113.6F164 F172 S176 L177 L178 L318 Y490 L492F164-P174 HydrophobicContact CZ-CB 3.91Å; F172-P174 HydrophobicContact CE2-CB 4.19Å; P174-S176 PolarHBondContact O-N 3.25Å; P174-L177 PolarHBondContact O-N 2.86Å; P174-L178 HydrophobicContact CB-CD1 4.13Å; P174-L178 HydrophobicContact CB-CG 4.39Å; P174-L178 WeakPolarHBondContact O-CG 3.36Å; P174-L178 PolarHBondContact O-N 3.02Å; P174-L318 HydrophobicContact CB-CD1 3.88Å; P174-L318 HydrophobicContact CG-CD1 4.23Å; P174-Y490 HydrophobicContact CG-CE2 4.12Å; P174-L492 HydrophobicContact CB-CD2 4.27Å; P174-L492 HydrophobicContact CG-CD2 3.89Å; P174-L492 HydrophobicContact CG-CG 4.32Å
175N94.1Very high95.9Very high49 Ų4943.9 Ų43.926%0.26224%0.235SC..Hα-helixtrans-49.3-50.9-171.3-6271.6000113.4R173 L177 L178 D179R173-N175 VanDerWaalsContact C-N 3.33Å; R173-N175 PolarHBondContact O-N 2.98Å; N175-L177 VanDerWaalsContact C-N 3.3Å; N175-L177 PolarHBondContact O-N 3.44Å; N175-L178 PolarHBondContact O-N 3.38Å; N175-D179 PolarHBondContact O-N 3.27Å
176S91.9Very high95.7Very high65 Ų6540.7 Ų40.746%0.45522%0.216SC..Hα-helixtrans-62.9-35.7-176.8-177.90000112.9P174 K180P174-S176 PolarHBondContact O-N 3.25Å; S176-K180 WeakPolarHBondContact O-CD 3.11Å; S176-K180 WeakPolarHBondContact O-CG 3.46Å; S176-K180 PolarHBondContact O-N 2.99Å; S176-K180 WeakPolarHBondContact OG-CE 3.3Å
177L96.8Very high95.5Very high19 Ų1935.1 Ų35.110%0.09919%0.186CC..Hα-helixtrans-74.7-38.2177.2-65.3-177.2000111.4L160 A163 F164 F172 P174 N175 K180 A181 Y197L160-L177 HydrophobicContact CD1-CB 3.82Å; L160-L177 WeakPolarHBondContact CD1-O 3.22Å; A163-L177 HydrophobicContact CB-CD1 4.13Å; A163-L177 HydrophobicContact CB-CD2 4.1Å; F164-L177 HydrophobicContact CD2-CB 4.42Å; F164-L177 HydrophobicContact CD2-CD1 3.64Å; F164-L177 HydrophobicContact CE2-CB 3.8Å; F164-L177 HydrophobicContact CE2-CD1 3.7Å; F164-L177 HydrophobicContact CE2-CG 4.41Å; F172-L177 HydrophobicContact CD2-CD1 4.41Å; F172-L177 HydrophobicContact CE2-CD1 3.92Å; P174-L177 PolarHBondContact O-N 2.86Å; N175-L177 VanDerWaalsContact C-N 3.3Å; N175-L177 PolarHBondContact O-N 3.44Å; L177-K180 PolarHBondContact O-N 3.17Å; L177-A181 PolarHBondContact O-N 3Å; L177-Y197 HydrophobicContact CD2-CD2 4.31Å
178L97.6Very high95.3Very high1 Ų133.2 Ų33.21%0.00518%0.179CC..Hα-helixtrans-63.3-44.7174.8-65.6174.6000111.6L160 P174 N175 K180 A181 V182 L314 A315 L318 L460L160-L178 HydrophobicContact CD2-CD2 4.03Å; P174-L178 HydrophobicContact CB-CD1 4.13Å; P174-L178 HydrophobicContact CB-CG 4.39Å; P174-L178 WeakPolarHBondContact O-CG 3.36Å; P174-L178 PolarHBondContact O-N 3.02Å; N175-L178 PolarHBondContact O-N 3.38Å; L178-K180 VanDerWaalsContact C-N 3.32Å; L178-K180 PolarHBondContact O-N 3.3Å; L178-A181 PolarHBondContact O-N 3.47Å; L178-V182 WeakPolarHBondContact O-CB 3.33Å; L178-V182 VanDerWaalsContact O-CG2 3.31Å; L178-V182 WeakPolarHBondContact O-CG2 3.19Å; L178-V182 PolarHBondContact O-N 3.32Å; L178-L314 HydrophobicContact CD1-CB 4.01Å; L178-L314 HydrophobicContact CD2-CB 3.97Å; L178-L314 HydrophobicContact CD2-CD1 4.2Å; L178-L314 HydrophobicContact CG-CB 4.49Å; L178-A315 HydrophobicContact CD1-CB 3.91Å; L178-L318 HydrophobicContact CD1-CD1 4.13Å; L178-L318 HydrophobicContact CD2-CD1 4.37Å; L178-L460 HydrophobicContact CD2-CD1 4.35Å
179D93.4Very high95.1Very high18 Ų1829.7 Ų29.710%0.09615%0.149CC..Hα-helixtrans-58-47175.9-67.2-29000110.4N175 S183 F206 H210 S311N175-D179 PolarHBondContact O-N 3.27Å; D179-S183 VanDerWaalsContact O-CB 3.26Å; D179-S183 WeakPolarHBondContact O-CB 3.39Å; D179-S183 PolarHBondContact O-N 2.96Å; D179-S183 PolarHBondContact O-OG 3.38Å; D179-F206 VanDerWaalsContact C-CE1 3.48Å; D179-F206 HydrophobicContact CB-CD1 4.02Å; D179-F206 HydrophobicContact CB-CE1 3.92Å; D179-F206 VanDerWaalsContact O-CE1 3.25Å; D179-F206 WeakPolarHBondContact O-CE1 3.4Å; D179-H210 IonicContact OD2-CE1 3.69Å; D179-H210 IonicContact OD2-NE2 2.92Å; D179-S311 WeakPolarHBondContact OD1-CB 3.43Å; D179-S311 PolarHBondContact OD1-OG 3.14Å
180K95.6Very high95Very high27 Ų2728.4 Ų28.412%0.11714%0.136CC..Hα-helixtrans-58.6-49.4178.3-72.8170.7-168.3-168.90113.1S176 L177 L178 N184 Y197 F202 L203 F206S176-K180 WeakPolarHBondContact O-CD 3.11Å; S176-K180 WeakPolarHBondContact O-CG 3.46Å; S176-K180 PolarHBondContact O-N 2.99Å; S176-K180 WeakPolarHBondContact OG-CE 3.3Å; L177-K180 PolarHBondContact O-N 3.17Å; L178-K180 VanDerWaalsContact C-N 3.32Å; L178-K180 PolarHBondContact O-N 3.3Å; K180-N184 PolarHBondContact O-N 3.06Å; K180-N184 VanDerWaalsContact O-N 3.07Å; K180-Y197 HydrophobicContact CB-CD1 3.69Å; K180-Y197 HydrophobicContact CB-CE1 3.76Å; K180-Y197 HydrophobicContact CB-CG 4.21Å; K180-Y197 HydrophobicContact CD-CD1 4.19Å; K180-Y197 HydrophobicContact CD-CG 3.97Å; K180-Y197 WeakPolarHBondContact CD-O 3.44Å; K180-Y197 VanDerWaalsContact CE-O 3.3Å; K180-Y197 WeakPolarHBondContact CE-O 3.23Å; K180-Y197 HydrophobicContact CG-CD1 4.39Å; K180-Y197 PolarHBondContact NZ-O 2.72Å; K180-F202 HydrophobicContact CB-CE1 4.22Å; K180-F202 HydrophobicContact CG-CE1 4.28Å; K180-L203 VanDerWaalsContact CE-CD2 3.48Å; K180-F206 HydrophobicContact CB-CZ 4.32Å; K180-F206 HydrophobicContact CG-CD2 4.5Å; K180-F206 HydrophobicContact CG-CE2 3.83Å; K180-F206 HydrophobicContact CG-CZ 4.01Å
181A97.1Very high94.6Very high1 Ų121 Ų211%0.00811%0.109CC..Hα-helixtrans-63.9-49.3-179.100000112.1E156 L160 L177 L178 S183 N184 V185 Y197 F456E156-A181 HydrophobicContact CG-CB 4.19Å; E156-A181 VanDerWaalsContact CG-O 3.29Å; E156-A181 WeakPolarHBondContact CG-O 3.31Å; L160-A181 HydrophobicContact CB-CB 4.02Å; L160-A181 HydrophobicContact CD1-CB 4.02Å; L160-A181 HydrophobicContact CD2-CB 3.97Å; L160-A181 HydrophobicContact CG-CB 4.22Å; L177-A181 PolarHBondContact O-N 3Å; L178-A181 PolarHBondContact O-N 3.47Å; A181-S183 VanDerWaalsContact C-N 3.34Å; A181-S183 PolarHBondContact O-N 3.22Å; A181-N184 WeakPolarHBondContact O-CB 3.46Å; A181-N184 PolarHBondContact O-N 2.72Å; A181-N184 VanDerWaalsContact O-N 3.16Å; A181-V185 PolarHBondContact O-N 2.86Å; A181-Y197 WeakPolarHBondContact CB-OH 3.12Å; A181-F456 HydrophobicContact CB-CE1 3.86Å; A181-F456 HydrophobicContact CB-CZ 4.01Å
182V96Very high94.1Very high0 Ų020 Ų200%011%0.109CC..Hα-helixtrans-63.1-41.8179.8171.20000111.1L178 N184 V185 I186 G306 M307 T310 L314 E452 F456L178-V182 WeakPolarHBondContact O-CB 3.33Å; L178-V182 VanDerWaalsContact O-CG2 3.31Å; L178-V182 WeakPolarHBondContact O-CG2 3.19Å; L178-V182 PolarHBondContact O-N 3.32Å; V182-N184 VanDerWaalsContact C-N 3.28Å; V182-N184 PolarHBondContact O-N 3.37Å; V182-V185 WeakPolarHBondContact O-CB 3.43Å; V182-V185 PolarHBondContact O-N 2.88Å; V182-V185 VanDerWaalsContact O-N 3.09Å; V182-I186 PolarHBondContact O-N 3.23Å; V182-G306 WeakPolarHBondContact CG1-O 3.45Å; V182-M307 WeakPolarHBondContact CG1-O 3.5Å; V182-T310 HydrophobicContact CG1-CG2 4.19Å; V182-T310 HydrophobicContact CG2-CG2 3.99Å; V182-L314 HydrophobicContact CG2-CD1 3.89Å; V182-E452 WeakPolarHBondContact CG1-OE2 3.41Å; V182-F456 HydrophobicContact CG2-CE2 4.17Å
183S94.4Very high93.7Very high0 Ų023.1 Ų23.10%012%0.121CC..Hα-helixtrans-62.7-34.1175.3-87.90000113.9D179 A181 V185 I186 A187 F206 M307D179-S183 VanDerWaalsContact O-CB 3.26Å; D179-S183 WeakPolarHBondContact O-CB 3.39Å; D179-S183 PolarHBondContact O-N 2.96Å; D179-S183 PolarHBondContact O-OG 3.38Å; A181-S183 VanDerWaalsContact C-N 3.34Å; A181-S183 PolarHBondContact O-N 3.22Å; S183-V185 VanDerWaalsContact C-N 3.25Å; S183-V185 PolarHBondContact O-N 2.6Å; S183-I186 PolarHBondContact O-N 2.81Å; S183-A187 VanDerWaalsContact O-CB 3.26Å; S183-A187 WeakPolarHBondContact O-CB 3.37Å; S183-A187 PolarHBondContact O-N 3.33Å; S183-F206 VanDerWaalsContact CB-CE1 3.43Å; S183-F206 WeakPolarHBondContact OG-CE1 3.29Å; S183-F206 WeakPolarHBondContact OG-CZ 3.5Å; S183-M307 WeakPolarHBondContact OG-CG 3.24Å; S183-M307 PolarHBondContact OG-SD 2.82Å
184N95.8Very high93.5Very high1 Ų119.7 Ų19.71%0.00511%0.108CC..Hα-helixtrans-65.8-31.2175-91.1-19.6000111.9E156 K180 A181 V182 A187 S188 R194 F195 F202E156-N184 HydrophobicContact CG-CB 3.8Å; E156-N184 PolarHBondContact OE1-ND2 3.02Å; E156-N184 WeakPolarHBondContact OE2-CB 3.23Å; E156-N184 PolarHBondContact OE2-ND2 3.27Å; K180-N184 PolarHBondContact O-N 3.06Å; K180-N184 VanDerWaalsContact O-N 3.07Å; A181-N184 WeakPolarHBondContact O-CB 3.46Å; A181-N184 PolarHBondContact O-N 2.72Å; A181-N184 VanDerWaalsContact O-N 3.16Å; V182-N184 VanDerWaalsContact C-N 3.28Å; V182-N184 PolarHBondContact O-N 3.37Å; N184-A187 PolarHBondContact O-N 3.23Å; N184-S188 WeakPolarHBondContact O-CB 3.47Å; N184-S188 PolarHBondContact O-N 3.28Å; N184-S188 PolarHBondContact O-OG 2.91Å; N184-S188 VanDerWaalsContact O-OG 3.11Å; N184-R194 HydrophobicContact CB-CB 4.24Å; N184-F195 PolarHBondContact ND2-O 2.67Å; N184-F195 PolarHBondContact OD1-N 2.74Å; N184-F195 PolarHBondContact OD1-O 2.85Å; N184-F202 VanDerWaalsContact OD1-CZ 3.29Å; N184-F202 WeakPolarHBondContact OD1-CZ 3.4Å
185V94.8Very high93.3Very high3 Ų319.9 Ų19.92%0.01811%0.109CC..Hα-helixtrans-63.2-47.2171.9178.70000110.7V153 E156 A181 V182 S183 S188 L189 L448 E452 F456V153-V185 HydrophobicContact CG2-CB 4.4Å; V153-V185 HydrophobicContact CG2-CG1 3.61Å; V153-V185 HydrophobicContact CG2-CG2 3.85Å; E156-V185 HydrophobicContact CB-CG2 4.46Å; E156-V185 HydrophobicContact CG-CG2 4.44Å; A181-V185 PolarHBondContact O-N 2.86Å; V182-V185 WeakPolarHBondContact O-CB 3.43Å; V182-V185 PolarHBondContact O-N 2.88Å; V182-V185 VanDerWaalsContact O-N 3.09Å; S183-V185 VanDerWaalsContact C-N 3.25Å; S183-V185 PolarHBondContact O-N 2.6Å; V185-S188 PolarHBondContact O-N 2.78Å; V185-L189 PolarHBondContact O-N 2.9Å; V185-L448 HydrophobicContact CG1-CD1 3.91Å; V185-E452 HydrophobicContact CG1-CG 4.03Å; V185-E452 HydrophobicContact CG2-CG 4.48Å; V185-F456 HydrophobicContact CG2-CE2 3.89Å; V185-F456 HydrophobicContact CG2-CZ 3.74Å
186I93Very high93.4Very high4 Ų422.7 Ų22.72%0.02112%0.12CC..Hα-helixtrans-68.6-38.4177.6-54.3-62.9000111.5V182 S183 S188 L189 T190 F303 L448V182-I186 PolarHBondContact O-N 3.23Å; S183-I186 PolarHBondContact O-N 2.81Å; I186-S188 VanDerWaalsContact C-N 3.34Å; I186-S188 PolarHBondContact O-N 3.34Å; I186-L189 CarbonylContact O-C 3.48Å; I186-L189 WeakPolarHBondContact O-CB 3.42Å; I186-L189 PolarHBondContact O-N 3.35Å; I186-L189 VanDerWaalsContact O-N 3.12Å; I186-T190 HydrophobicContact CG2-CG2 3.98Å; I186-T190 WeakPolarHBondContact O-CG2 3.45Å; I186-T190 PolarHBondContact O-N 3.45Å; I186-T190 PolarHBondContact O-OG1 2.93Å; I186-F303 HydrophobicContact CB-CD2 4.5Å; I186-F303 HydrophobicContact CG2-CB 4.39Å; I186-F303 HydrophobicContact CG2-CD2 4.1Å; I186-L448 HydrophobicContact CD1-CD2 3.59Å
187A92.8Very high93.6Very high0 Ų021.1 Ų21.10%010%0.104CC..Hα-helixtrans-61.8-41.417600000111.8S183 N184 L189 T190 Y191 G192 R193 F195 F303S183-A187 VanDerWaalsContact O-CB 3.26Å; S183-A187 WeakPolarHBondContact O-CB 3.37Å; S183-A187 PolarHBondContact O-N 3.33Å; N184-A187 PolarHBondContact O-N 3.23Å; A187-L189 VanDerWaalsContact C-N 3.32Å; A187-L189 PolarHBondContact O-N 2.97Å; A187-T190 PolarHBondContact O-N 3.34Å; A187-Y191 HydrophobicContact CB-CD2 4.41Å; A187-Y191 CarbonylContact O-C 3.48Å; A187-Y191 WeakPolarHBondContact O-CA 3.43Å; A187-Y191 WeakPolarHBondContact O-CB 3.31Å; A187-Y191 PolarHBondContact O-N 3.17Å; A187-G192 PolarHBondContact O-N 3.16Å; A187-R193 CarbonylContact C-O 3.59Å; A187-R193 WeakPolarHBondContact CB-O 3.42Å; A187-F195 HydrophobicContact CB-CD2 4.04Å; A187-F195 HydrophobicContact CB-CE2 3.82Å; A187-F303 HydrophobicContact CB-CE2 4.29Å
188S92.1Very high93.5Very high14 Ų1426 Ų2610%0.09813%0.131CC..Hα-helixtrans-62.9-40.3172.9-70.90000111.6N184 V185 I186 G192 R193N184-S188 WeakPolarHBondContact O-CB 3.47Å; N184-S188 PolarHBondContact O-N 3.28Å; N184-S188 PolarHBondContact O-OG 2.91Å; N184-S188 VanDerWaalsContact O-OG 3.11Å; V185-S188 PolarHBondContact O-N 2.78Å; I186-S188 VanDerWaalsContact C-N 3.34Å; I186-S188 PolarHBondContact O-N 3.34Å; S188-G192 WeakPolarHBondContact O-CA 3.31Å; S188-G192 PolarHBondContact O-N 3.08Å; S188-R193 PolarHBondContact N-O 3.39Å; S188-R193 VanDerWaalsContact N-O 3.13Å
189L91.1Very high93.4Very high2 Ų227.4 Ų27.41%0.0114%0.138CC..Hα-helixtrans-66.6-41.4176.7173.370.6000113.1L139 L142 L149 V185 I186 A187 D270 L271 L448L139-L189 HydrophobicContact CD2-CD1 3.81Å; L139-L189 HydrophobicContact CD2-CD2 3.28Å; L139-L189 HydrophobicContact CD2-CG 4.16Å; L139-L189 HydrophobicContact CG-CD2 4.39Å; L142-L189 HydrophobicContact CB-CD1 4.41Å; L142-L189 HydrophobicContact CD1-CD1 3.85Å; L149-L189 HydrophobicContact CD1-CD1 4.29Å; V185-L189 PolarHBondContact O-N 2.9Å; I186-L189 CarbonylContact O-C 3.48Å; I186-L189 WeakPolarHBondContact O-CB 3.42Å; I186-L189 PolarHBondContact O-N 3.35Å; I186-L189 VanDerWaalsContact O-N 3.12Å; A187-L189 VanDerWaalsContact C-N 3.32Å; A187-L189 PolarHBondContact O-N 2.97Å; L189-D270 WeakPolarHBondContact O-CB 3.45Å; L189-L271 PolarHBondContact O-N 3.33Å; L189-L448 HydrophobicContact CD2-CD2 4.17Å
190T90.8Very high93.4Very high0 Ų031.3 Ų31.30%017%0.165CC..Hα-helixtrans-92.6-32.5-172.558.10000113.3I186 A187 T272 V299 L302I186-T190 HydrophobicContact CG2-CG2 3.98Å; I186-T190 WeakPolarHBondContact O-CG2 3.45Å; I186-T190 PolarHBondContact O-N 3.45Å; I186-T190 PolarHBondContact O-OG1 2.93Å; A187-T190 PolarHBondContact O-N 3.34Å; T190-T272 WeakPolarHBondContact O-CB 3.3Å; T190-T272 PolarHBondContact O-N 2.94Å; T190-T272 PolarHBondContact O-OG1 3.14Å; T190-V299 HydrophobicContact CG2-CG1 4.44Å; T190-L302 HydrophobicContact CG2-CB 4.32Å; T190-L302 HydrophobicContact CG2-CD1 4.42Å
191Y88.1Confident93.2Very high4 Ų434.2 Ų34.22%0.01618%0.175CC..Hα-helixtrans-1231.8-174.9-56.6-73.7000113.6A187 R193 L251 L254 L255 H258 V299 F303A187-Y191 HydrophobicContact CB-CD2 4.41Å; A187-Y191 CarbonylContact O-C 3.48Å; A187-Y191 WeakPolarHBondContact O-CA 3.43Å; A187-Y191 WeakPolarHBondContact O-CB 3.31Å; A187-Y191 PolarHBondContact O-N 3.17Å; Y191-R193 PolarHBondContact O-N 3.02Å; Y191-L251 WeakPolarHBondContact OH-CD2 3.24Å; Y191-L254 HydrophobicContact CE1-CB 3.98Å; Y191-L254 HydrophobicContact CE2-CD1 4.44Å; Y191-L255 HydrophobicContact CE1-CD2 3.78Å; Y191-L255 HydrophobicContact CE1-CG 4.15Å; Y191-H258 VanDerWaalsContact C-CE1 3.42Å; Y191-H258 PolarHBondContact O-CE1 3.32Å; Y191-H258 PolarHBondContact O-ND1 3.04Å; Y191-V299 HydrophobicContact CE1-CG1 4.15Å; Y191-V299 HydrophobicContact CE2-CG1 4.14Å; Y191-V299 WeakPolarHBondContact OH-CG1 3.29Å; Y191-F303 HydrophobicContact CE2-CD2 4.43Å
192G87.7Confident92.8Very high42 Ų4234.2 Ų34.243%0.43318%0.175SC..SBendtrans62.619.5-179.500000114.1A187 S188 D270A187-G192 PolarHBondContact O-N 3.16Å; S188-G192 WeakPolarHBondContact O-CA 3.31Å; S188-G192 PolarHBondContact O-N 3.08Å; G192-D270 PolarHBondContact N-OD2 3.38Å
193R89.4Confident92.6Very high84 Ų8437 Ų3732%0.31719%0.189SC..  trans-146.1155.3-17864.7176.9-75.6-171.6-4.4112.8A187 S188 Y191 E257A187-R193 CarbonylContact C-O 3.59Å; A187-R193 WeakPolarHBondContact CB-O 3.42Å; S188-R193 PolarHBondContact N-O 3.39Å; S188-R193 VanDerWaalsContact N-O 3.13Å; Y191-R193 PolarHBondContact O-N 3.02Å; R193-E257 IonicContact NH1-OE2 2.94Å
194R93.5Very high92.5Very high79 Ų7943 Ų4330%0.29821%0.212SC..  trans-102.2167.7165.466.3177.5-66.5-77.6-0.1111.6E156 N184 E196E156-R194 IonicContact OE2-CZ 3.59Å; E156-R194 IonicContact OE2-NE 3.08Å; E156-R194 PolarHBondContact OE2-NE 3.12Å; E156-R194 VanDerWaalsContact OE2-NE 3.07Å; E156-R194 IonicContact OE2-NH2 3.68Å; N184-R194 HydrophobicContact CB-CB 4.24Å; R194-E196 IonicContact CZ-OE1 3.35Å; R194-E196 IonicContact CZ-OE2 2.87Å; R194-E196 VanDerWaalsContact NH1-CD 3.27Å; R194-E196 IonicContact NH1-OE1 3Å; R194-E196 PolarHBondContact NH1-OE1 3.2Å; R194-E196 IonicContact NH1-OE2 3.21Å; R194-E196 PolarHBondContact NH1-OE2 3.35Å; R194-E196 IonicContact NH2-OE2 2.86Å
195F94.1Very high92.2Very high5 Ų543.1 Ų43.12%0.02221%0.212CC..  trans-117.5150172.1-61.8-90.8000110N184 A187 D199 F202 L254N184-F195 PolarHBondContact ND2-O 2.67Å; N184-F195 PolarHBondContact OD1-N 2.74Å; N184-F195 PolarHBondContact OD1-O 2.85Å; A187-F195 HydrophobicContact CB-CD2 4.04Å; A187-F195 HydrophobicContact CB-CE2 3.82Å; F195-D199 HydrophobicContact CB-CB 4.46Å; F195-F202 HydrophobicContact CB-CB 3.71Å; F195-F202 HydrophobicContact CB-CD1 3.48Å; F195-F202 VanDerWaalsContact CB-CD1 3.48Å; F195-F202 HydrophobicContact CB-CD2 3.77Å; F195-F202 HydrophobicContact CB-CE1 3.91Å; F195-F202 HydrophobicContact CB-CE2 4.17Å; F195-F202 HydrophobicContact CB-CG 3.4Å; F195-F202 VanDerWaalsContact CB-CG 3.4Å; F195-F202 HydrophobicContact CB-CZ 4.21Å; F195-F202 HydrophobicContact CD1-CB 4.15Å; F195-F202 HydrophobicContact CD1-CD2 4.45Å; F195-F202 HydrophobicContact CD1-CG 4.43Å; F195-F202 AromaticContact CD2-CD2 3.53Å; F195-F202 HydrophobicContact CD2-CD2 3.53Å; F195-F202 AromaticContact CD2-CE2 3.65Å; F195-F202 HydrophobicContact CD2-CE2 3.65Å; F195-F202 HydrophobicContact CD2-CG 4.1Å; F195-F202 HydrophobicContact CD2-CZ 4.29Å; F195-F202 HydrophobicContact CE2-CD2 4.23Å; F195-F202 HydrophobicContact CE2-CE2 4.4Å; F195-F202 HydrophobicContact CG-CB 3.94Å; F195-F202 HydrophobicContact CG-CD1 4.31Å; F195-F202 AromaticContact CG-CD2 3.67Å; F195-F202 HydrophobicContact CG-CD2 3.67Å; F195-F202 HydrophobicContact CG-CE2 4.15Å; F195-F202 AromaticContact CG-CG 3.75Å; F195-F202 HydrophobicContact CG-CG 3.75Å; F195-L254 HydrophobicContact CE1-CD2 4.09Å; F195-L254 HydrophobicContact CZ-CD1 4.02Å; F195-L254 HydrophobicContact CZ-CD2 3.97Å
196E96.5Very high91.8Very high108 Ų10843.5 Ų43.551%0.50521%0.214SC..  trans-69149.8168.2-63.4-52.8149.800110.8R194 D198 D199R194-E196 IonicContact CZ-OE1 3.35Å; R194-E196 IonicContact CZ-OE2 2.87Å; R194-E196 VanDerWaalsContact NH1-CD 3.27Å; R194-E196 IonicContact NH1-OE1 3Å; R194-E196 PolarHBondContact NH1-OE1 3.2Å; R194-E196 IonicContact NH1-OE2 3.21Å; R194-E196 PolarHBondContact NH1-OE2 3.35Å; R194-E196 IonicContact NH2-OE2 2.86Å; E196-D198 WeakPolarHBondContact CB-OD1 3.42Å; E196-D198 PolarHBondContact O-N 3.41Å; E196-D198 VanDerWaalsContact O-N 3.15Å; E196-D199 WeakPolarHBondContact O-CB 3.36Å; E196-D199 PolarHBondContact O-N 2.89Å
197Y95.8Very high91.6Very high31 Ų3148.4 Ų48.412%0.12224%0.24CC..THydrogen-bonded Turntrans-66.7-16.2-174.8-75.3-3000114.1E156 L160 A163 L177 K180 A181E156-Y197 WeakPolarHBondContact OE1-CE1 3.42Å; E156-Y197 VanDerWaalsContact OE1-CZ 3.23Å; E156-Y197 PolarHBondContact OE1-OH 3.22Å; L160-Y197 PolarHBondContact N-OH 2.87Å; A163-Y197 HydrophobicContact CB-CD2 3.89Å; A163-Y197 HydrophobicContact CB-CE2 3.75Å; L177-Y197 HydrophobicContact CD2-CD2 4.31Å; K180-Y197 HydrophobicContact CB-CD1 3.69Å; K180-Y197 HydrophobicContact CB-CE1 3.76Å; K180-Y197 HydrophobicContact CB-CG 4.21Å; K180-Y197 HydrophobicContact CD-CD1 4.19Å; K180-Y197 HydrophobicContact CD-CG 3.97Å; K180-Y197 WeakPolarHBondContact CD-O 3.44Å; K180-Y197 VanDerWaalsContact CE-O 3.3Å; K180-Y197 WeakPolarHBondContact CE-O 3.23Å; K180-Y197 HydrophobicContact CG-CD1 4.39Å; K180-Y197 PolarHBondContact NZ-O 2.72Å; A181-Y197 WeakPolarHBondContact CB-OH 3.12Å
198D94.4Very high91.6Very high122 Ų12249.6 Ų49.665%0.65225%0.246SC*.THydrogen-bonded Turntrans-107.54.2175.964.9-21.4000113.3E196 P200E196-D198 WeakPolarHBondContact CB-OD1 3.42Å; E196-D198 PolarHBondContact O-N 3.41Å; E196-D198 VanDerWaalsContact O-N 3.15Å; D198-P200 VanDerWaalsContact O-CD 3.24Å; D198-P200 WeakPolarHBondContact O-CD 3.41Å; D198-P200 VanDerWaalsContact O-N 3.15Å
199D94.8Very high91.5Very high30 Ų3049 Ų4916%0.1624%0.242CC..  trans-59.4117.7176.6-176.6-37.9000109.6F195 E196 R201 F202 L203F195-D199 HydrophobicContact CB-CB 4.46Å; E196-D199 WeakPolarHBondContact O-CB 3.36Å; E196-D199 PolarHBondContact O-N 2.89Å; D199-R201 PolarHBondContact O-N 2.91Å; D199-R201 WeakPolarHBondContact OD1-CA 3.46Å; D199-R201 VanDerWaalsContact OD1-CB 3.3Å; D199-R201 WeakPolarHBondContact OD1-CB 3.31Å; D199-R201 PolarHBondContact OD1-N 3.44Å; D199-R201 IonicContact OD1-NE 2.7Å; D199-F202 HydrophobicContact CB-CB 3.88Å; D199-F202 WeakPolarHBondContact O-CB 3.33Å; D199-F202 PolarHBondContact O-N 3.46Å; D199-F202 PolarHBondContact OD1-N 3.41Å; D199-L203 WeakPolarHBondContact O-CG 3.29Å; D199-L203 PolarHBondContact O-N 3.43Å
200P93.8Very high91.3Very high101 Ų10151.8 Ų51.866%0.65626%0.255SS*.Hα-helixtrans-60.4-31.4-176.7-25.434.9000113.9D198 R204D198-P200 VanDerWaalsContact O-CD 3.24Å; D198-P200 WeakPolarHBondContact O-CD 3.41Å; D198-P200 VanDerWaalsContact O-N 3.15Å; P200-R204 WeakPolarHBondContact O-CB 3.49Å; P200-R204 PolarHBondContact O-N 2.85Å
201R90.7Very high91.3Very high87 Ų8755.9 Ų55.933%0.32827%0.274SS..Hα-helixtrans-69.6-40.9176.5-62.4-175.9-67.4176.6-3.7110D199 R204 L205 Q250 E257D199-R201 PolarHBondContact O-N 2.91Å; D199-R201 WeakPolarHBondContact OD1-CA 3.46Å; D199-R201 VanDerWaalsContact OD1-CB 3.3Å; D199-R201 WeakPolarHBondContact OD1-CB 3.31Å; D199-R201 PolarHBondContact OD1-N 3.44Å; D199-R201 IonicContact OD1-NE 2.7Å; R201-R204 PolarHBondContact O-N 3.45Å; R201-L205 PolarHBondContact O-N 3.15Å; R201-Q250 PolarHBondContact O-NE2 3.23Å; R201-E257 VanDerWaalsContact NH1-CD 3.33Å; R201-E257 IonicContact NH1-OE1 3.93Å; R201-E257 PolarHBondContact NH1-OE1 3.06Å; R201-E257 IonicContact NH1-OE2 3.74Å; R201-E257 PolarHBondContact NH1-OE2 3.15Å; R201-E257 VanDerWaalsContact NH1-OE2 3.08Å
202F90.4Very high91.3Very high1 Ų156.1 Ų56.10%0.00428%0.277CS..Hα-helixtrans-65.7-47.1178.1-167-139.7000111.1K180 N184 F195 D199 R204 L205 F206 F303K180-F202 HydrophobicContact CB-CE1 4.22Å; K180-F202 HydrophobicContact CG-CE1 4.28Å; N184-F202 VanDerWaalsContact OD1-CZ 3.29Å; N184-F202 WeakPolarHBondContact OD1-CZ 3.4Å; F195-F202 HydrophobicContact CB-CB 3.71Å; F195-F202 HydrophobicContact CB-CD1 3.48Å; F195-F202 VanDerWaalsContact CB-CD1 3.48Å; F195-F202 HydrophobicContact CB-CD2 3.77Å; F195-F202 HydrophobicContact CB-CE1 3.91Å; F195-F202 HydrophobicContact CB-CE2 4.17Å; F195-F202 HydrophobicContact CB-CG 3.4Å; F195-F202 VanDerWaalsContact CB-CG 3.4Å; F195-F202 HydrophobicContact CB-CZ 4.21Å; F195-F202 HydrophobicContact CD1-CB 4.15Å; F195-F202 HydrophobicContact CD1-CD2 4.45Å; F195-F202 HydrophobicContact CD1-CG 4.43Å; F195-F202 AromaticContact CD2-CD2 3.53Å; F195-F202 HydrophobicContact CD2-CD2 3.53Å; F195-F202 AromaticContact CD2-CE2 3.65Å; F195-F202 HydrophobicContact CD2-CE2 3.65Å; F195-F202 HydrophobicContact CD2-CG 4.1Å; F195-F202 HydrophobicContact CD2-CZ 4.29Å; F195-F202 HydrophobicContact CE2-CD2 4.23Å; F195-F202 HydrophobicContact CE2-CE2 4.4Å; F195-F202 HydrophobicContact CG-CB 3.94Å; F195-F202 HydrophobicContact CG-CD1 4.31Å; F195-F202 AromaticContact CG-CD2 3.67Å; F195-F202 HydrophobicContact CG-CD2 3.67Å; F195-F202 HydrophobicContact CG-CE2 4.15Å; F195-F202 AromaticContact CG-CG 3.75Å; F195-F202 HydrophobicContact CG-CG 3.75Å; D199-F202 HydrophobicContact CB-CB 3.88Å; D199-F202 WeakPolarHBondContact O-CB 3.33Å; D199-F202 PolarHBondContact O-N 3.46Å; D199-F202 PolarHBondContact OD1-N 3.41Å; F202-R204 VanDerWaalsContact C-N 3.34Å; F202-R204 PolarHBondContact O-N 3.01Å; F202-L205 VanDerWaalsContact O-CB 3.31Å; F202-L205 WeakPolarHBondContact O-CB 3.44Å; F202-L205 PolarHBondContact O-N 2.83Å; F202-F206 AromaticContact CD1-CE2 3.46Å; F202-F206 HydrophobicContact CD1-CE2 3.46Å; F202-F206 VanDerWaalsContact CD1-CE2 3.46Å; F202-F206 HydrophobicContact CD1-CZ 4.1Å; F202-F206 AromaticContact CD2-CE2 3.64Å; F202-F206 HydrophobicContact CD2-CE2 3.64Å; F202-F206 HydrophobicContact CD2-CZ 4.04Å; F202-F206 AromaticContact CE1-CE2 3.41Å; F202-F206 HydrophobicContact CE1-CE2 3.41Å; F202-F206 VanDerWaalsContact CE1-CE2 3.41Å; F202-F206 AromaticContact CE1-CZ 3.56Å; F202-F206 HydrophobicContact CE1-CZ 3.56Å; F202-F206 AromaticContact CE2-CE2 3.6Å; F202-F206 HydrophobicContact CE2-CE2 3.6Å; F202-F206 AromaticContact CE2-CZ 3.5Å; F202-F206 HydrophobicContact CE2-CZ 3.5Å; F202-F206 VanDerWaalsContact CE2-CZ 3.5Å; F202-F206 HydrophobicContact CG-CD2 4.41Å; F202-F206 AromaticContact CG-CE2 3.58Å; F202-F206 HydrophobicContact CG-CE2 3.58Å; F202-F206 HydrophobicContact CG-CZ 4.32Å; F202-F206 HydrophobicContact CZ-CE1 4.49Å; F202-F206 AromaticContact CZ-CE2 3.5Å; F202-F206 HydrophobicContact CZ-CE2 3.5Å; F202-F206 AromaticContact CZ-CZ 3.25Å; F202-F206 HydrophobicContact CZ-CZ 3.25Å; F202-F206 WeakPolarHBondContact O-CD2 3.39Å; F202-F206 WeakPolarHBondContact O-CE2 3.5Å; F202-F206 PolarHBondContact O-N 3.17Å; F202-F303 HydrophobicContact CE2-CZ 4.32Å
203L91.5Very high91.2Very high59 Ų5956.5 Ų56.531%0.30927%0.269SS..Hα-helixtrans-54.9-47.2174.1-65.8178.5000112.3K180 D199 L205 F206 D207K180-L203 VanDerWaalsContact CE-CD2 3.48Å; D199-L203 WeakPolarHBondContact O-CG 3.29Å; D199-L203 PolarHBondContact O-N 3.43Å; L203-L205 VanDerWaalsContact C-N 3.27Å; L203-L205 PolarHBondContact O-N 3.44Å; L203-F206 WeakPolarHBondContact O-CB 3.41Å; L203-F206 PolarHBondContact O-N 3.29Å; L203-D207 PolarHBondContact O-N 3.05Å; L203-D207 VanDerWaalsContact O-N 3.12Å
204R92.4Very high90.9Very high127 Ų12758.5 Ų58.548%0.47928%0.28SS..Hα-helixtrans-60.7-36.1176.4-176.9179.9-178.1-150.8-1112.5P200 R201 F202 F206 D207 L208P200-R204 WeakPolarHBondContact O-CB 3.49Å; P200-R204 PolarHBondContact O-N 2.85Å; R201-R204 PolarHBondContact O-N 3.45Å; F202-R204 VanDerWaalsContact C-N 3.34Å; F202-R204 PolarHBondContact O-N 3.01Å; R204-F206 VanDerWaalsContact C-N 3.34Å; R204-D207 PolarHBondContact O-N 3.45Å; R204-L208 HydrophobicContact CG-CD1 3.99Å; R204-L208 HydrophobicContact CG-CG 4.33Å; R204-L208 WeakPolarHBondContact O-CB 3.5Å; R204-L208 VanDerWaalsContact O-CG 3.25Å; R204-L208 WeakPolarHBondContact O-CG 3.5Å; R204-L208 PolarHBondContact O-N 2.81Å
205L89.4Confident90.7Very high2 Ų256.2 Ų56.21%0.0127%0.273CS..Hα-helixtrans-65.2-38.7178.6-168.167000111.6R201 F202 L203 T209 F247 Q250 L251 L254 F303R201-L205 PolarHBondContact O-N 3.15Å; F202-L205 VanDerWaalsContact O-CB 3.31Å; F202-L205 WeakPolarHBondContact O-CB 3.44Å; F202-L205 PolarHBondContact O-N 2.83Å; L203-L205 VanDerWaalsContact C-N 3.27Å; L203-L205 PolarHBondContact O-N 3.44Å; L205-T209 WeakPolarHBondContact O-CB 3.35Å; L205-T209 PolarHBondContact O-N 2.87Å; L205-T209 PolarHBondContact O-OG1 3.07Å; L205-F247 HydrophobicContact CD1-CD2 3.47Å; L205-F247 VanDerWaalsContact CD1-CD2 3.47Å; L205-F247 HydrophobicContact CD1-CE2 3.35Å; L205-F247 HydrophobicContact CD1-CZ 4.48Å; L205-F247 HydrophobicContact CG-CD2 4.33Å; L205-F247 HydrophobicContact CG-CE2 3.91Å; L205-Q250 VanDerWaalsContact CA-OE1 3.3Å; L205-Q250 HydrophobicContact CD1-CB 4.41Å; L205-Q250 HydrophobicContact CD1-CG 4.3Å; L205-L251 HydrophobicContact CD1-CD2 3.57Å; L205-L251 HydrophobicContact CD1-CG 4.34Å; L205-L251 HydrophobicContact CD2-CD2 4.16Å; L205-L251 HydrophobicContact CG-CD2 4.48Å; L205-L254 HydrophobicContact CD2-CD1 4.34Å; L205-F303 HydrophobicContact CD2-CD1 4.28Å; L205-F303 HydrophobicContact CD2-CE1 3.54Å; L205-F303 HydrophobicContact CD2-CE2 3.96Å; L205-F303 HydrophobicContact CD2-CZ 3.35Å; L205-F303 HydrophobicContact CG-CE1 3.92Å; L205-F303 HydrophobicContact CG-CZ 4.21Å
206F86Confident90.1Very high11 Ų1158.8 Ų58.85%0.04829%0.285CS..Hα-helixtrans-63.6-50.3173.1-69.5-73.9000112.5D179 K180 S183 F202 L203 R204 L208 T209 H210 M307D179-F206 VanDerWaalsContact C-CE1 3.48Å; D179-F206 HydrophobicContact CB-CD1 4.02Å; D179-F206 HydrophobicContact CB-CE1 3.92Å; D179-F206 VanDerWaalsContact O-CE1 3.25Å; D179-F206 WeakPolarHBondContact O-CE1 3.4Å; K180-F206 HydrophobicContact CB-CZ 4.32Å; K180-F206 HydrophobicContact CG-CD2 4.5Å; K180-F206 HydrophobicContact CG-CE2 3.83Å; K180-F206 HydrophobicContact CG-CZ 4.01Å; S183-F206 VanDerWaalsContact CB-CE1 3.43Å; S183-F206 WeakPolarHBondContact OG-CE1 3.29Å; S183-F206 WeakPolarHBondContact OG-CZ 3.5Å; F202-F206 AromaticContact CD1-CE2 3.46Å; F202-F206 HydrophobicContact CD1-CE2 3.46Å; F202-F206 VanDerWaalsContact CD1-CE2 3.46Å; F202-F206 HydrophobicContact CD1-CZ 4.1Å; F202-F206 AromaticContact CD2-CE2 3.64Å; F202-F206 HydrophobicContact CD2-CE2 3.64Å; F202-F206 HydrophobicContact CD2-CZ 4.04Å; F202-F206 AromaticContact CE1-CE2 3.41Å; F202-F206 HydrophobicContact CE1-CE2 3.41Å; F202-F206 VanDerWaalsContact CE1-CE2 3.41Å; F202-F206 AromaticContact CE1-CZ 3.56Å; F202-F206 HydrophobicContact CE1-CZ 3.56Å; F202-F206 AromaticContact CE2-CE2 3.6Å; F202-F206 HydrophobicContact CE2-CE2 3.6Å; F202-F206 AromaticContact CE2-CZ 3.5Å; F202-F206 HydrophobicContact CE2-CZ 3.5Å; F202-F206 VanDerWaalsContact CE2-CZ 3.5Å; F202-F206 HydrophobicContact CG-CD2 4.41Å; F202-F206 AromaticContact CG-CE2 3.58Å; F202-F206 HydrophobicContact CG-CE2 3.58Å; F202-F206 HydrophobicContact CG-CZ 4.32Å; F202-F206 HydrophobicContact CZ-CE1 4.49Å; F202-F206 AromaticContact CZ-CE2 3.5Å; F202-F206 HydrophobicContact CZ-CE2 3.5Å; F202-F206 AromaticContact CZ-CZ 3.25Å; F202-F206 HydrophobicContact CZ-CZ 3.25Å; F202-F206 WeakPolarHBondContact O-CD2 3.39Å; F202-F206 WeakPolarHBondContact O-CE2 3.5Å; F202-F206 PolarHBondContact O-N 3.17Å; L203-F206 WeakPolarHBondContact O-CB 3.41Å; L203-F206 PolarHBondContact O-N 3.29Å; R204-F206 VanDerWaalsContact C-N 3.34Å; F206-L208 VanDerWaalsContact C-N 3.29Å; F206-L208 PolarHBondContact O-N 3.41Å; F206-T209 PolarHBondContact O-N 2.67Å; F206-T209 VanDerWaalsContact O-N 3.15Å; F206-H210 PolarHBondContact O-N 3.39Å; F206-H210 PolarHBondContact O-ND1 3.32Å; F206-M307 HydrophobicContact CD1-CE 4.24Å; F206-M307 HydrophobicContact CD1-SD 3.25Å; F206-M307 WeakPolarHBondContact CD1-SD 3.27Å; F206-M307 HydrophobicContact CE1-CG 4.21Å; F206-M307 HydrophobicContact CE1-SD 3.3Å; F206-M307 WeakPolarHBondContact CE1-SD 3.43Å; F206-M307 HydrophobicContact CG-SD 4.45Å
207D89.5Confident89.1Confident108 Ų10857.6 Ų57.658%0.57829%0.289SS*.Hα-helixtrans-58.9-46-178-70.3-22.4000110.1L203 R204 T209 H210 E211L203-D207 PolarHBondContact O-N 3.05Å; L203-D207 VanDerWaalsContact O-N 3.12Å; R204-D207 PolarHBondContact O-N 3.45Å; D207-T209 VanDerWaalsContact C-N 3.34Å; D207-T209 PolarHBondContact O-N 3.19Å; D207-H210 PolarHBondContact O-N 3.34Å; D207-E211 WeakPolarHBondContact O-CG 3.26Å; D207-E211 PolarHBondContact O-N 3.48Å
208L92.3Very high88.2Confident24 Ų2457.5 Ų57.513%0.12630%0.297CS..Hα-helixtrans-63.3-38.1177.3-71.3176.9000112.7R204 F206 A212 A246 F247R204-L208 HydrophobicContact CG-CD1 3.99Å; R204-L208 HydrophobicContact CG-CG 4.33Å; R204-L208 WeakPolarHBondContact O-CB 3.5Å; R204-L208 VanDerWaalsContact O-CG 3.25Å; R204-L208 WeakPolarHBondContact O-CG 3.5Å; R204-L208 PolarHBondContact O-N 2.81Å; F206-L208 VanDerWaalsContact C-N 3.29Å; F206-L208 PolarHBondContact O-N 3.41Å; L208-A212 WeakPolarHBondContact O-CB 3.25Å; L208-A212 PolarHBondContact O-N 3.02Å; L208-A246 HydrophobicContact CD1-CB 4.08Å; L208-A246 HydrophobicContact CD2-CB 3.73Å; L208-F247 HydrophobicContact CB-CB 4.12Å; L208-F247 HydrophobicContact CB-CD2 4.42Å
209T89.5Confident87.6Confident3 Ų358.4 Ų58.42%0.01830%0.301CS..Hα-helixtrans-68.9-41.3178-53.10000111.9L205 F206 D207 A212 L213 F247 M307 V308L205-T209 WeakPolarHBondContact O-CB 3.35Å; L205-T209 PolarHBondContact O-N 2.87Å; L205-T209 PolarHBondContact O-OG1 3.07Å; F206-T209 PolarHBondContact O-N 2.67Å; F206-T209 VanDerWaalsContact O-N 3.15Å; D207-T209 VanDerWaalsContact C-N 3.34Å; D207-T209 PolarHBondContact O-N 3.19Å; T209-A212 PolarHBondContact O-N 3.4Å; T209-L213 PolarHBondContact O-N 2.93Å; T209-F247 WeakPolarHBondContact OG1-CD2 3.26Å; T209-F247 WeakPolarHBondContact OG1-CE2 3.39Å; T209-M307 VanDerWaalsContact CB-CE 3.44Å; T209-M307 HydrophobicContact CG2-CE 3.2Å; T209-V308 HydrophobicContact CG2-CG2 4.3Å
210H87.1Confident87Confident60 Ų6061.1 Ų61.128%0.27832%0.315SS..Hα-helixtrans-64.1-42.8176.2-76.296.1000111.8D179 F206 D207 L213 K214D179-H210 IonicContact OD2-CE1 3.69Å; D179-H210 IonicContact OD2-NE2 2.92Å; F206-H210 PolarHBondContact O-N 3.39Å; F206-H210 PolarHBondContact O-ND1 3.32Å; D207-H210 PolarHBondContact O-N 3.34Å; H210-L213 PolarHBondContact O-N 2.91Å; H210-K214 PolarHBondContact O-N 3.46Å
211E89.3Confident86.6Confident85 Ų8556.6 Ų56.640%0.39729%0.285SS..Hα-helixtrans-67.2-39.5175.1-68.4-57.7132.700111.8D207 L213 K214 E215 S243D207-E211 WeakPolarHBondContact O-CG 3.26Å; D207-E211 PolarHBondContact O-N 3.48Å; E211-L213 VanDerWaalsContact C-N 3.28Å; E211-L213 PolarHBondContact O-N 3.27Å; E211-K214 WeakPolarHBondContact O-CB 3.49Å; E211-K214 PolarHBondContact O-N 2.56Å; E211-K214 VanDerWaalsContact O-N 3.14Å; E211-K214 IonicContact OE1-NZ 2.76Å; E211-K214 PolarHBondContact OE1-NZ 3.37Å; E211-K214 IonicContact OE2-NZ 3.76Å; E211-E215 PolarHBondContact O-N 2.93Å; E211-E215 VanDerWaalsContact O-N 3.15Å; E211-S243 WeakPolarHBondContact CB-OG 3.05Å
212A88.3Confident86.2Confident10 Ų1057.5 Ų57.58%0.08329%0.293CS..Hα-helixtrans-60.1-37.1173.800000112.4L208 T209 K214 E215 E216 Q244L208-A212 WeakPolarHBondContact O-CB 3.25Å; L208-A212 PolarHBondContact O-N 3.02Å; T209-A212 PolarHBondContact O-N 3.4Å; A212-K214 VanDerWaalsContact C-N 3.34Å; A212-E215 WeakPolarHBondContact O-CB 3.48Å; A212-E215 PolarHBondContact O-N 2.84Å; A212-E216 PolarHBondContact O-N 3.07Å; A212-Q244 HydrophobicContact CB-CG 3.59Å
213L85.6Confident85.8Confident49 Ų4960.1 Ų60.126%0.25731%0.309SS..Hα-helixtrans-66.4-35.3175.8-169.966.2000112.1T209 H210 E211 E215 E216 V308 F483 L484T209-L213 PolarHBondContact O-N 2.93Å; H210-L213 PolarHBondContact O-N 2.91Å; E211-L213 VanDerWaalsContact C-N 3.28Å; E211-L213 PolarHBondContact O-N 3.27Å; L213-E215 VanDerWaalsContact C-N 3.33Å; L213-E216 WeakPolarHBondContact O-CB 3.16Å; L213-E216 PolarHBondContact O-N 3.44Å; L213-V308 HydrophobicContact CD2-CG1 4Å; L213-F483 HydrophobicContact CD1-CD1 3.86Å; L213-L484 HydrophobicContact CD2-CD1 4.11Å
214K84.6Confident85.5Confident127 Ų12757.3 Ų57.355%0.55229%0.294SS*.Hα-helixtrans-65.4-38.8174.2-66.4173.1-173168.70111.2H210 E211 A212 E216 S217H210-K214 PolarHBondContact O-N 3.46Å; E211-K214 WeakPolarHBondContact O-CB 3.49Å; E211-K214 PolarHBondContact O-N 2.56Å; E211-K214 VanDerWaalsContact O-N 3.14Å; E211-K214 IonicContact OE1-NZ 2.76Å; E211-K214 PolarHBondContact OE1-NZ 3.37Å; E211-K214 IonicContact OE2-NZ 3.76Å; A212-K214 VanDerWaalsContact C-N 3.34Å; K214-E216 PolarHBondContact O-N 3.45Å; K214-S217 PolarHBondContact O-N 3.18Å; K214-S217 VanDerWaalsContact O-N 3.14Å; K214-S217 PolarHBondContact O-OG 3.11Å; K214-S217 VanDerWaalsContact O-OG 3.04Å
215E87.8Confident85.2Confident31 Ų3152.6 Ų52.615%0.14528%0.278CS..Hα-helixtrans-60-24.4177.6-68.2178.8159.900112.8E211 A212 L213 S217 R221 V240 L241 R242 S243 Q244E211-E215 PolarHBondContact O-N 2.93Å; E211-E215 VanDerWaalsContact O-N 3.15Å; A212-E215 WeakPolarHBondContact O-CB 3.48Å; A212-E215 PolarHBondContact O-N 2.84Å; L213-E215 VanDerWaalsContact C-N 3.33Å; E215-S217 VanDerWaalsContact C-N 3.27Å; E215-S217 PolarHBondContact O-N 3.42Å; E215-R221 WeakPolarHBondContact O-CD 3.48Å; E215-V240 WeakPolarHBondContact CG-O 3.44Å; E215-L241 WeakPolarHBondContact OE2-CA 3.41Å; E215-R242 PolarHBondContact OE1-N 3.02Å; E215-S243 WeakPolarHBondContact OE1-CB 3.07Å; E215-S243 PolarHBondContact OE1-N 3.4Å; E215-S243 PolarHBondContact OE1-OG 2.62Å; E215-S243 PolarHBondContact OE2-N 3.16Å; E215-Q244 PolarHBondContact OE2-N 3.43Å
216E81.8Confident84.7Confident58 Ų5854.5 Ų54.527%0.27130%0.295SS..THydrogen-bonded Turntrans-66-24.2176.5-71-62136.900113.9A212 L213 K214 R221 Q244A212-E216 PolarHBondContact O-N 3.07Å; L213-E216 WeakPolarHBondContact O-CB 3.16Å; L213-E216 PolarHBondContact O-N 3.44Å; K214-E216 PolarHBondContact O-N 3.45Å; E216-R221 VanDerWaalsContact CD-CZ 3.47Å; E216-R221 IonicContact OE1-CZ 3.82Å; E216-R221 VanDerWaalsContact OE1-CZ 3.23Å; E216-R221 IonicContact OE1-NH1 2.86Å; E216-R221 PolarHBondContact OE1-NH1 3.07Å; E216-R221 IonicContact OE1-NH2 3.92Å; E216-R221 PolarHBondContact OE1-NH2 3.3Å; E216-R221 IonicContact OE2-CZ 3.41Å; E216-R221 IonicContact OE2-NE 3.15Å; E216-R221 PolarHBondContact OE2-NE 2.68Å; E216-R221 IonicContact OE2-NH1 2.72Å; E216-R221 IonicContact OE2-NH2 3.34Å; E216-R221 PolarHBondContact OE2-NH2 2.77Å; E216-Q244 PolarHBondContact OE1-NE2 3Å
217S76.1Confident84.6Confident84 Ų8457.2 Ų57.259%0.58731%0.309SS*.THydrogen-bonded Turntrans-105.410.3-173.563.50000114.7K214 E215K214-S217 PolarHBondContact O-N 3.18Å; K214-S217 VanDerWaalsContact O-N 3.14Å; K214-S217 PolarHBondContact O-OG 3.11Å; K214-S217 VanDerWaalsContact O-OG 3.04Å; E215-S217 VanDerWaalsContact C-N 3.27Å; E215-S217 PolarHBondContact O-N 3.42Å
218G77.9Confident84.3Confident28 Ų2854.8 Ų54.829%0.28930%0.299SS..  trans-81.4135.4-173.200000114.9L220 R221 E222G218-L220 PolarHBondContact O-N 3.11Å; G218-R221 VanDerWaalsContact O-CB 3.3Å; G218-R221 WeakPolarHBondContact O-CB 3.3Å; G218-R221 PolarHBondContact O-N 2.89Å; G218-E222 PolarHBondContact O-N 2.73Å
219L79.9Confident84Confident142 Ų14258.8 Ų58.874%0.74332%0.32SS*.Hα-helixtrans-53.8-39.3175.2178.963.7000112.9R221 E222 V223L219-R221 VanDerWaalsContact C-N 3.29Å; L219-R221 PolarHBondContact O-N 3.49Å; L219-E222 PolarHBondContact O-N 3.4Å; L219-V223 WeakPolarHBondContact O-CG2 3.46Å; L219-V223 PolarHBondContact O-N 2.9Å
220L82.8Confident83.9Confident86 Ų8661.2 Ų61.245%0.4533%0.332SS..Hα-helixtrans-65.8-33.2179.6-173.358.5000112G218 V223 L224 L236 V240G218-L220 PolarHBondContact O-N 3.11Å; L220-V223 PolarHBondContact O-N 3.05Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.5Å; L220-L224 PolarHBondContact O-N 3.14Å; L220-L236 HydrophobicContact CD2-CD1 4.28Å; L220-V240 HydrophobicContact CB-CG2 4.43Å; L220-V240 HydrophobicContact CD2-CG2 3.5Å; L220-V240 HydrophobicContact CG-CG2 3.7Å
221R85.1Confident83.9Confident6 Ų660 Ų602%0.02333%0.328CS..Hα-helixtrans-63.8-46.1173.7177.9-178.1175.797.4-4110.7I106 E215 E216 G218 L219 V223 L224 N225 V240I106-R221 HydrophobicContact CD1-CG 4.39Å; I106-R221 HydrophobicContact CG2-CG 4.42Å; E215-R221 WeakPolarHBondContact O-CD 3.48Å; E216-R221 VanDerWaalsContact CD-CZ 3.47Å; E216-R221 IonicContact OE1-CZ 3.82Å; E216-R221 VanDerWaalsContact OE1-CZ 3.23Å; E216-R221 IonicContact OE1-NH1 2.86Å; E216-R221 PolarHBondContact OE1-NH1 3.07Å; E216-R221 IonicContact OE1-NH2 3.92Å; E216-R221 PolarHBondContact OE1-NH2 3.3Å; E216-R221 IonicContact OE2-CZ 3.41Å; E216-R221 IonicContact OE2-NE 3.15Å; E216-R221 PolarHBondContact OE2-NE 2.68Å; E216-R221 IonicContact OE2-NH1 2.72Å; E216-R221 IonicContact OE2-NH2 3.34Å; E216-R221 PolarHBondContact OE2-NH2 2.77Å; G218-R221 VanDerWaalsContact O-CB 3.3Å; G218-R221 WeakPolarHBondContact O-CB 3.3Å; G218-R221 PolarHBondContact O-N 2.89Å; L219-R221 VanDerWaalsContact C-N 3.29Å; L219-R221 PolarHBondContact O-N 3.49Å; R221-V223 VanDerWaalsContact C-N 3.35Å; R221-V223 PolarHBondContact O-N 2.97Å; R221-L224 PolarHBondContact O-N 2.8Å; R221-N225 PolarHBondContact O-N 3.38Å; R221-N225 PolarHBondContact O-ND2 3.31Å; R221-V240 HydrophobicContact CB-CG1 3.98Å
222E82Confident83.8Confident106 Ų10665.6 Ų65.650%0.49535%0.345SS..Hα-helixtrans-59.3-44.5176.5-69-55.4126.200112.1G218 L219 L224 N225 A226G218-E222 PolarHBondContact O-N 2.73Å; L219-E222 PolarHBondContact O-N 3.4Å; E222-L224 VanDerWaalsContact C-N 3.34Å; E222-L224 PolarHBondContact O-N 2.75Å; E222-N225 PolarHBondContact O-N 2.86Å; E222-A226 VanDerWaalsContact O-CB 3.26Å; E222-A226 WeakPolarHBondContact O-CB 3.47Å; E222-A226 PolarHBondContact O-N 2.88Å
223V82.9Confident83.8Confident57 Ų5769.2 Ų69.235%0.34536%0.362SS..Hα-helixtrans-60.3-42.7176.2172.20000111.7L219 L220 R221 A226 I227 L230L219-V223 WeakPolarHBondContact O-CG2 3.46Å; L219-V223 PolarHBondContact O-N 2.9Å; L220-V223 PolarHBondContact O-N 3.05Å; R221-V223 VanDerWaalsContact C-N 3.35Å; R221-V223 PolarHBondContact O-N 2.97Å; V223-A226 PolarHBondContact O-N 2.9Å; V223-I227 PolarHBondContact O-N 2.83Å; V223-L230 HydrophobicContact CG1-CD1 3.83Å
224L85.8Confident83.8Confident0 Ų072.8 Ų72.80%039%0.389CS..Hα-helixtrans-69.4-34.3178.8-70.9179.9000113.2I106 L220 R221 E222 I227 P228 L230 L231 L236 V240I106-L224 HydrophobicContact CD1-CB 4.06Å; I106-L224 HydrophobicContact CD1-CD1 3.61Å; I106-L224 HydrophobicContact CD1-CG 4.5Å; I106-L224 HydrophobicContact CG1-CD1 4.38Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.5Å; L220-L224 PolarHBondContact O-N 3.14Å; R221-L224 PolarHBondContact O-N 2.8Å; E222-L224 VanDerWaalsContact C-N 3.34Å; E222-L224 PolarHBondContact O-N 2.75Å; L224-I227 CarbonylContact O-C 3.58Å; L224-P228 WeakPolarHBondContact O-CA 3.47Å; L224-L230 HydrophobicContact CD2-CB 3.55Å; L224-L230 HydrophobicContact CD2-CD1 4.32Å; L224-L231 HydrophobicContact CB-CD2 4.13Å; L224-L231 HydrophobicContact CD1-CD2 4.15Å; L224-L231 HydrophobicContact CD2-CD2 4.17Å; L224-L231 HydrophobicContact CG-CD2 4.38Å; L224-L236 HydrophobicContact CD1-CG 4.38Å; L224-L236 HydrophobicContact CD2-CD2 3.7Å; L224-L236 HydrophobicContact CD2-CG 4.12Å; L224-V240 HydrophobicContact CD1-CB 4.17Å; L224-V240 HydrophobicContact CD1-CG1 4.4Å; L224-V240 HydrophobicContact CD1-CG2 3.61Å
225N85.2Confident83.7Confident27 Ų2769.1 Ų69.114%0.14439%0.387CS..Hα-helixtrans-70.6-37.9174-77.1-36.9000111.9P105 I106 R221 E222P105-N225 WeakPolarHBondContact CD-OD1 3.32Å; I106-N225 WeakPolarHBondContact CB-OD1 3.4Å; I106-N225 WeakPolarHBondContact CG2-OD1 3.19Å; I106-N225 PolarHBondContact N-OD1 2.86Å; R221-N225 PolarHBondContact O-N 3.38Å; R221-N225 PolarHBondContact O-ND2 3.31Å; E222-N225 PolarHBondContact O-N 2.86Å
226A79.9Confident83.6Confident43 Ų4369.6 Ų69.636%0.35539%0.39SS..Hα-helixtrans-71-36177.100000112.9W75 E222 V223W75-A226 HydrophobicContact CE3-CB 3.89Å; W75-A226 HydrophobicContact CZ3-CB 3.96Å; E222-A226 VanDerWaalsContact O-CB 3.26Å; E222-A226 WeakPolarHBondContact O-CB 3.47Å; E222-A226 PolarHBondContact O-N 2.88Å; V223-A226 PolarHBondContact O-N 2.9Å
227I82.9Confident83.4Confident67 Ų6767.2 Ų67.234%0.34438%0.38SS..  trans-126.577.6-179.9-46.7176.7000109.8W75 V223 L224 L229 L230W75-I227 HydrophobicContact CH2-CD1 3.97Å; W75-I227 HydrophobicContact CH2-CG1 4.25Å; W75-I227 HydrophobicContact CZ3-CD1 4Å; W75-I227 HydrophobicContact CZ3-CG1 3.83Å; V223-I227 PolarHBondContact O-N 2.83Å; L224-I227 CarbonylContact O-C 3.58Å; I227-L229 HydrophobicContact CG2-CB 4.4Å; I227-L229 PolarHBondContact O-N 3.05Å; I227-L230 HydrophobicContact CB-CD1 3.98Å; I227-L230 HydrophobicContact CB-CG 4.14Å; I227-L230 HydrophobicContact CD1-CD1 4.5Å; I227-L230 HydrophobicContact CG2-CD1 4.23Å; I227-L230 HydrophobicContact CG2-CG 3.92Å; I227-L230 WeakPolarHBondContact O-CB 3.28Å; I227-L230 PolarHBondContact O-N 3.45Å
228P83.7Confident83.5Confident57 Ų5764.9 Ų64.937%0.3737%0.369SS..G310 helixtrans-62.1-18.3-176.1-25.636.7000114.2P105 L224 L230 L231P105-P228 HydrophobicContact CB-CB 3.89Å; P105-P228 HydrophobicContact CB-CG 3.75Å; P105-P228 HydrophobicContact CG-CB 4.38Å; P105-P228 HydrophobicContact CG-CG 3.69Å; L224-P228 WeakPolarHBondContact O-CA 3.47Å; P228-L230 PolarHBondContact O-N 3.44Å; P228-L231 HydrophobicContact CB-CD1 4.3Å; P228-L231 VanDerWaalsContact O-CB 3.23Å; P228-L231 WeakPolarHBondContact O-CB 3.33Å; P228-L231 WeakPolarHBondContact O-CG 3.36Å; P228-L231 PolarHBondContact O-N 2.84Å
229L86.1Confident83.8Confident108 Ų10870.8 Ų70.857%0.56539%0.387SS*.G310 helixtrans-58-29.7174.6-172.165.9000112.1I227 L231 R232I227-L229 HydrophobicContact CG2-CB 4.4Å; I227-L229 PolarHBondContact O-N 3.05Å; L229-L231 PolarHBondContact O-N 3.02Å; L229-R232 WeakPolarHBondContact O-CB 3.38Å; L229-R232 WeakPolarHBondContact O-CG 3.16Å; L229-R232 PolarHBondContact O-N 3.02Å; L229-R232 VanDerWaalsContact O-N 3.16Å
230L87.1Confident84Confident54 Ų5464.8 Ų64.828%0.28336%0.356SS..G310 helixtrans-66-19.8177-63177.9000112.9V223 L224 I227 P228 R232 I233 L236V223-L230 HydrophobicContact CG1-CD1 3.83Å; L224-L230 HydrophobicContact CD2-CB 3.55Å; L224-L230 HydrophobicContact CD2-CD1 4.32Å; I227-L230 HydrophobicContact CB-CD1 3.98Å; I227-L230 HydrophobicContact CB-CG 4.14Å; I227-L230 HydrophobicContact CD1-CD1 4.5Å; I227-L230 HydrophobicContact CG2-CD1 4.23Å; I227-L230 HydrophobicContact CG2-CG 3.92Å; I227-L230 WeakPolarHBondContact O-CB 3.28Å; I227-L230 PolarHBondContact O-N 3.45Å; P228-L230 PolarHBondContact O-N 3.44Å; L230-R232 PolarHBondContact O-N 2.98Å; L230-I233 HydrophobicContact CB-CD1 4.48Å; L230-I233 HydrophobicContact CD2-CD1 3.94Å; L230-I233 WeakPolarHBondContact O-CB 3.45Å; L230-I233 WeakPolarHBondContact O-CG1 3.38Å; L230-I233 PolarHBondContact O-N 2.89Å; L230-L236 HydrophobicContact CB-CD2 4.32Å
231L87.1Confident84.2Confident35 Ų3560.8 Ų60.818%0.18334%0.335CS..G310 helixtrans-64.8-17.6174.6-59.4174.6000112.6P105 I106 L224 P228 L229 I233 A237P105-L231 HydrophobicContact CB-CD1 4.41Å; I106-L231 HydrophobicContact CB-CD2 4.38Å; I106-L231 HydrophobicContact CG1-CD2 3.86Å; L224-L231 HydrophobicContact CB-CD2 4.13Å; L224-L231 HydrophobicContact CD1-CD2 4.15Å; L224-L231 HydrophobicContact CD2-CD2 4.17Å; L224-L231 HydrophobicContact CG-CD2 4.38Å; P228-L231 HydrophobicContact CB-CD1 4.3Å; P228-L231 VanDerWaalsContact O-CB 3.23Å; P228-L231 WeakPolarHBondContact O-CB 3.33Å; P228-L231 WeakPolarHBondContact O-CG 3.36Å; P228-L231 PolarHBondContact O-N 2.84Å; L229-L231 PolarHBondContact O-N 3.02Å; L231-I233 PolarHBondContact O-N 2.83Å; L231-A237 HydrophobicContact CD2-CB 3.81Å
232R87.1Confident84.5Confident202 Ų20268.3 Ų68.376%0.76236%0.364SS*.G310 helixtrans-71.5-14.2173.7-61.8-173.9-178.4177.20.2113.2L229 L230 P234L229-R232 WeakPolarHBondContact O-CB 3.38Å; L229-R232 WeakPolarHBondContact O-CG 3.16Å; L229-R232 PolarHBondContact O-N 3.02Å; L229-R232 VanDerWaalsContact O-N 3.16Å; L230-R232 PolarHBondContact O-N 2.98Å; R232-P234 VanDerWaalsContact O-CD 3.23Å; R232-P234 WeakPolarHBondContact O-CD 3.44Å
233I89Confident85Confident86 Ų8664.2 Ų64.244%0.44135%0.346SS..SBendtrans-74.1113176.5-58.8172.2000108.2L230 L231 G235 L236L230-I233 HydrophobicContact CB-CD1 4.48Å; L230-I233 HydrophobicContact CD2-CD1 3.94Å; L230-I233 WeakPolarHBondContact O-CB 3.45Å; L230-I233 WeakPolarHBondContact O-CG1 3.38Å; L230-I233 PolarHBondContact O-N 2.89Å; L231-I233 PolarHBondContact O-N 2.83Å; I233-G235 PolarHBondContact O-N 3.36Å; I233-L236 HydrophobicContact CB-CB 4.11Å; I233-L236 HydrophobicContact CB-CD2 4.16Å; I233-L236 HydrophobicContact CD1-CD2 4.01Å; I233-L236 HydrophobicContact CG2-CB 4.18Å; I233-L236 WeakPolarHBondContact O-CB 3.49Å; I233-L236 PolarHBondContact O-N 3.27Å
234P84Confident85.4Confident125 Ų12562.5 Ų62.581%0.81234%0.335SS*.THydrogen-bonded Turntrans-57.8132.8-175.1-25.235.7000112.2R232 L236R232-P234 VanDerWaalsContact O-CD 3.23Å; R232-P234 WeakPolarHBondContact O-CD 3.44Å; P234-L236 VanDerWaalsContact C-N 3.26Å; P234-L236 PolarHBondContact O-N 3.18Å
235G82.9Confident85.7Confident50 Ų5068.3 Ų68.352%0.51536%0.36SS..THydrogen-bonded Turntrans79.7-10.6177.300000115.9I233 K239I233-G235 PolarHBondContact O-N 3.36Å; G235-K239 WeakPolarHBondContact O-CG 3.16Å; G235-K239 PolarHBondContact O-N 2.73Å; G235-K239 VanDerWaalsContact O-N 3.17Å
236L85.4Confident86.1Confident41 Ų4168.3 Ų68.322%0.21536%0.364CS..Hα-helixtrans-65.3-54.7178.8-17757.1000111.1L220 L224 L230 I233 P234 G238 K239 V240L220-L236 HydrophobicContact CD2-CD1 4.28Å; L224-L236 HydrophobicContact CD1-CG 4.38Å; L224-L236 HydrophobicContact CD2-CD2 3.7Å; L224-L236 HydrophobicContact CD2-CG 4.12Å; L230-L236 HydrophobicContact CB-CD2 4.32Å; I233-L236 HydrophobicContact CB-CB 4.11Å; I233-L236 HydrophobicContact CB-CD2 4.16Å; I233-L236 HydrophobicContact CD1-CD2 4.01Å; I233-L236 HydrophobicContact CG2-CB 4.18Å; I233-L236 WeakPolarHBondContact O-CB 3.49Å; I233-L236 PolarHBondContact O-N 3.27Å; P234-L236 VanDerWaalsContact C-N 3.26Å; P234-L236 PolarHBondContact O-N 3.18Å; L236-G238 VanDerWaalsContact C-N 3.32Å; L236-G238 PolarHBondContact O-N 2.82Å; L236-K239 PolarHBondContact O-N 3.19Å; L236-K239 VanDerWaalsContact O-N 3.15Å; L236-V240 PolarHBondContact O-N 3.35Å
237A79.2Confident86.7Confident8 Ų866.7 Ų66.77%0.06635%0.349CS..Hα-helixtrans-64-36.617900000112.8V109 L231 K239 V240 L241V109-A237 HydrophobicContact CG1-CB 4.36Å; V109-A237 HydrophobicContact CG2-CB 3.76Å; L231-A237 HydrophobicContact CD2-CB 3.81Å; A237-K239 PolarHBondContact O-N 2.77Å; A237-V240 PolarHBondContact O-N 2.68Å; A237-V240 VanDerWaalsContact O-N 3.11Å; A237-L241 PolarHBondContact O-N 3.05Å
238G76.9Confident87.2Confident34 Ų3464 Ų6435%0.35134%0.335SS..Hα-helixtrans-67-19.6176.800000114.4L236L236-G238 VanDerWaalsContact C-N 3.32Å; L236-G238 PolarHBondContact O-N 2.82Å
239K84.1Confident87.7Confident153 Ų15364.4 Ų64.467%0.66534%0.336SS*.Hα-helixtrans-81.9-32.9170.3-75175.7-178-179.20112.4G235 L236 A237G235-K239 WeakPolarHBondContact O-CG 3.16Å; G235-K239 PolarHBondContact O-N 2.73Å; G235-K239 VanDerWaalsContact O-N 3.17Å; L236-K239 PolarHBondContact O-N 3.19Å; L236-K239 VanDerWaalsContact O-N 3.15Å; A237-K239 PolarHBondContact O-N 2.77Å
240V84.8Confident88Confident15 Ų1559.4 Ų59.49%0.09131%0.31CS..Hα-helixtrans-77.1-34.6-177.7179.70000112.5I106 E215 L220 R221 L224 L236 A237I106-V240 HydrophobicContact CD1-CB 4.1Å; I106-V240 HydrophobicContact CD1-CG1 3.66Å; E215-V240 WeakPolarHBondContact CG-O 3.44Å; L220-V240 HydrophobicContact CB-CG2 4.43Å; L220-V240 HydrophobicContact CD2-CG2 3.5Å; L220-V240 HydrophobicContact CG-CG2 3.7Å; R221-V240 HydrophobicContact CB-CG1 3.98Å; L224-V240 HydrophobicContact CD1-CB 4.17Å; L224-V240 HydrophobicContact CD1-CG1 4.4Å; L224-V240 HydrophobicContact CD1-CG2 3.61Å; L236-V240 PolarHBondContact O-N 3.35Å; A237-V240 PolarHBondContact O-N 2.68Å; A237-V240 VanDerWaalsContact O-N 3.11Å
241L87.2Confident88.2Confident2 Ų256.9 Ų56.91%0.0130%0.297CS..THydrogen-bonded Turntrans-112.535.9-177.9-56.4-177.7000111.6I106 L110 E215 A237 Q244 K245I106-L241 HydrophobicContact CD1-CD1 4.07Å; I106-L241 HydrophobicContact CD1-CD2 4.11Å; I106-L241 HydrophobicContact CD1-CG 3.94Å; I106-L241 HydrophobicContact CG1-CD1 3.74Å; I106-L241 HydrophobicContact CG1-CG 4.18Å; I106-L241 HydrophobicContact CG2-CD1 4.37Å; L110-L241 HydrophobicContact CD1-CD1 4.06Å; L110-L241 HydrophobicContact CD2-CB 4.27Å; L110-L241 HydrophobicContact CD2-CD1 4.12Å; L110-L241 HydrophobicContact CG-CD1 3.92Å; E215-L241 WeakPolarHBondContact OE2-CA 3.41Å; A237-L241 PolarHBondContact O-N 3.05Å; L241-Q244 HydrophobicContact CB-CB 4.33Å; L241-K245 VanDerWaalsContact O-CB 3.26Å; L241-K245 WeakPolarHBondContact O-CB 3.38Å; L241-K245 PolarHBondContact O-N 3.09Å
242R91.2Very high88.5Confident165 Ų16557.5 Ų57.562%0.62330%0.3SS*.Hα-helixtrans-66-47.3-172.8176.4-177.3-78.4-177.6-6.6110E215 K245 A246E215-R242 PolarHBondContact OE1-N 3.02Å; R242-K245 PolarHBondContact O-N 3.26Å; R242-A246 WeakPolarHBondContact O-CB 3.5Å; R242-A246 PolarHBondContact O-N 3.43Å
243S92.6Very high88.8Confident19 Ų1952.2 Ų52.213%0.13328%0.284CS..Hα-helixtrans-71-40.6-178.3-59.40000110.8E211 E215 K245 A246 F247E211-S243 WeakPolarHBondContact CB-OG 3.05Å; E215-S243 WeakPolarHBondContact OE1-CB 3.07Å; E215-S243 PolarHBondContact OE1-N 3.4Å; E215-S243 PolarHBondContact OE1-OG 2.62Å; E215-S243 PolarHBondContact OE2-N 3.16Å; S243-K245 PolarHBondContact O-N 3.06Å; S243-A246 PolarHBondContact O-N 3.45Å; S243-F247 VanDerWaalsContact O-CB 3.26Å; S243-F247 WeakPolarHBondContact O-CB 3.41Å; S243-F247 PolarHBondContact O-N 2.92Å
244Q91Very high88.9Confident22 Ų2248.7 Ų48.710%0.10327%0.266CS..Hα-helixtrans-59.2-44.3172.1-73.6-173.840.500112.7L110 A212 E215 E216 L241 F247 L248L110-Q244 HydrophobicContact CD1-CB 4.32Å; L110-Q244 VanDerWaalsContact CD1-OE1 3.22Å; L110-Q244 HydrophobicContact CD2-CB 4.19Å; A212-Q244 HydrophobicContact CB-CG 3.59Å; E215-Q244 PolarHBondContact OE2-N 3.43Å; E216-Q244 PolarHBondContact OE1-NE2 3Å; L241-Q244 HydrophobicContact CB-CB 4.33Å; Q244-F247 WeakPolarHBondContact O-CB 3.32Å; Q244-F247 PolarHBondContact O-N 3.36Å; Q244-L248 WeakPolarHBondContact O-CG 3.19Å; Q244-L248 PolarHBondContact O-N 3.25Å
245K92.1Very high89.4Confident122 Ų12243.2 Ų43.253%0.5323%0.23SC..Hα-helixtrans-64.6-44.9177.1-173.4175.5-179.51780111.7L110 L241 R242 S243 F247 L248 T249L110-K245 HydrophobicContact CD2-CB 4.47Å; L241-K245 VanDerWaalsContact O-CB 3.26Å; L241-K245 WeakPolarHBondContact O-CB 3.38Å; L241-K245 PolarHBondContact O-N 3.09Å; R242-K245 PolarHBondContact O-N 3.26Å; S243-K245 PolarHBondContact O-N 3.06Å; K245-F247 VanDerWaalsContact C-N 3.33Å; K245-F247 PolarHBondContact O-N 3.46Å; K245-L248 PolarHBondContact O-N 3.49Å; K245-T249 PolarHBondContact O-N 3.42Å; K245-T249 PolarHBondContact O-OG1 2.82Å; K245-T249 VanDerWaalsContact O-OG1 3.08Å
246A93.8Very high90Very high27 Ų2744.4 Ų44.422%0.22323%0.228CC..Hα-helixtrans-63.4-39.4177.900000112.1L208 R242 S243 T249 Q250L208-A246 HydrophobicContact CD1-CB 4.08Å; L208-A246 HydrophobicContact CD2-CB 3.73Å; R242-A246 WeakPolarHBondContact O-CB 3.5Å; R242-A246 PolarHBondContact O-N 3.43Å; S243-A246 PolarHBondContact O-N 3.45Å; A246-T249 PolarHBondContact O-N 3.28Å; A246-Q250 PolarHBondContact O-N 2.89Å
247F93.2Very high90.3Very high8 Ų846 Ų464%0.03523%0.234CC..Hα-helixtrans-58.4-53.5173.3174.3-111.8000110.6L205 L208 T209 S243 Q244 K245 T249 Q250 L251 A300 F303 S304L205-F247 HydrophobicContact CD1-CD2 3.47Å; L205-F247 VanDerWaalsContact CD1-CD2 3.47Å; L205-F247 HydrophobicContact CD1-CE2 3.35Å; L205-F247 HydrophobicContact CD1-CZ 4.48Å; L205-F247 HydrophobicContact CG-CD2 4.33Å; L205-F247 HydrophobicContact CG-CE2 3.91Å; L208-F247 HydrophobicContact CB-CB 4.12Å; L208-F247 HydrophobicContact CB-CD2 4.42Å; T209-F247 WeakPolarHBondContact OG1-CD2 3.26Å; T209-F247 WeakPolarHBondContact OG1-CE2 3.39Å; S243-F247 VanDerWaalsContact O-CB 3.26Å; S243-F247 WeakPolarHBondContact O-CB 3.41Å; S243-F247 PolarHBondContact O-N 2.92Å; Q244-F247 WeakPolarHBondContact O-CB 3.32Å; Q244-F247 PolarHBondContact O-N 3.36Å; K245-F247 VanDerWaalsContact C-N 3.33Å; K245-F247 PolarHBondContact O-N 3.46Å; F247-T249 VanDerWaalsContact C-N 3.28Å; F247-T249 PolarHBondContact O-N 3.11Å; F247-Q250 PolarHBondContact O-N 3.2Å; F247-Q250 VanDerWaalsContact O-N 3.1Å; F247-L251 HydrophobicContact CD1-CD1 4.18Å; F247-L251 HydrophobicContact CE1-CD1 3.59Å; F247-L251 HydrophobicContact CE1-CG 4.3Å; F247-L251 HydrophobicContact CE2-CD1 4.29Å; F247-L251 HydrophobicContact CE2-CD2 4.2Å; F247-L251 HydrophobicContact CE2-CG 4.27Å; F247-L251 HydrophobicContact CZ-CD1 3.65Å; F247-L251 HydrophobicContact CZ-CD2 4.26Å; F247-L251 HydrophobicContact CZ-CG 4.13Å; F247-L251 WeakPolarHBondContact O-CG 3.49Å; F247-L251 PolarHBondContact O-N 3.4Å; F247-A300 HydrophobicContact CE1-CB 3.82Å; F247-F303 HydrophobicContact CE2-CD1 4.2Å; F247-F303 HydrophobicContact CZ-CB 4.46Å; F247-F303 HydrophobicContact CZ-CD1 4.09Å; F247-S304 WeakPolarHBondContact CE1-OG 3.43Å; F247-S304 WeakPolarHBondContact CZ-OG 3.1Å
248L92.9Very high90.9Very high12 Ų1246.1 Ų46.16%0.06323%0.233CC..Hα-helixtrans-62.2-33.9178.6-66.4176.8000112.7L110 Q244 K245 L251 D252 R296 A300L110-L248 HydrophobicContact CB-CD1 3.93Å; L110-L248 HydrophobicContact CD2-CD1 4.02Å; L110-L248 HydrophobicContact CG-CD1 4.39Å; Q244-L248 WeakPolarHBondContact O-CG 3.19Å; Q244-L248 PolarHBondContact O-N 3.25Å; K245-L248 PolarHBondContact O-N 3.49Å; L248-L251 PolarHBondContact O-N 3.04Å; L248-D252 PolarHBondContact O-N 2.91Å; L248-D252 VanDerWaalsContact O-OD1 3.13Å; L248-R296 VanDerWaalsContact C-NH2 3.35Å; L248-R296 PolarHBondContact O-NH2 3.18Å; L248-A300 HydrophobicContact CD2-CB 3.5Å
249T94.1Very high91.7Very high64 Ų6448.3 Ų48.339%0.39323%0.231SC..Hα-helixtrans-65.4-41.4173.9-63.10000111.6K245 A246 F247 L251 D252 E253K245-T249 PolarHBondContact O-N 3.42Å; K245-T249 PolarHBondContact O-OG1 2.82Å; K245-T249 VanDerWaalsContact O-OG1 3.08Å; A246-T249 PolarHBondContact O-N 3.28Å; F247-T249 VanDerWaalsContact C-N 3.28Å; F247-T249 PolarHBondContact O-N 3.11Å; T249-L251 VanDerWaalsContact C-N 3.31Å; T249-L251 PolarHBondContact O-N 3.2Å; T249-D252 WeakPolarHBondContact O-CB 3.39Å; T249-D252 PolarHBondContact O-N 3.26Å; T249-E253 PolarHBondContact O-N 3.36Å
250Q91.8Very high92.1Very high4 Ų448.6 Ų48.62%0.01924%0.237CC..Hα-helixtrans-66.5-35.9176.2-168.6172.923.300111.9R201 L205 A246 F247 D252 E253 L254R201-Q250 PolarHBondContact O-NE2 3.23Å; L205-Q250 VanDerWaalsContact CA-OE1 3.3Å; L205-Q250 HydrophobicContact CD1-CB 4.41Å; L205-Q250 HydrophobicContact CD1-CG 4.3Å; A246-Q250 PolarHBondContact O-N 2.89Å; F247-Q250 PolarHBondContact O-N 3.2Å; F247-Q250 VanDerWaalsContact O-N 3.1Å; Q250-D252 VanDerWaalsContact C-N 3.33Å; Q250-E253 WeakPolarHBondContact O-CB 3.35Å; Q250-E253 PolarHBondContact O-N 2.91Å; Q250-L254 PolarHBondContact O-N 2.78Å
251L91.6Very high92.5Very high0 Ų052 Ų520%026%0.258CS..Hα-helixtrans-64.6-37.2172.4-65.7-169.2000112.3Y191 L205 F247 L248 T249 E253 L254 L255 A300Y191-L251 WeakPolarHBondContact OH-CD2 3.24Å; L205-L251 HydrophobicContact CD1-CD2 3.57Å; L205-L251 HydrophobicContact CD1-CG 4.34Å; L205-L251 HydrophobicContact CD2-CD2 4.16Å; L205-L251 HydrophobicContact CG-CD2 4.48Å; F247-L251 HydrophobicContact CD1-CD1 4.18Å; F247-L251 HydrophobicContact CE1-CD1 3.59Å; F247-L251 HydrophobicContact CE1-CG 4.3Å; F247-L251 HydrophobicContact CE2-CD1 4.29Å; F247-L251 HydrophobicContact CE2-CD2 4.2Å; F247-L251 HydrophobicContact CE2-CG 4.27Å; F247-L251 HydrophobicContact CZ-CD1 3.65Å; F247-L251 HydrophobicContact CZ-CD2 4.26Å; F247-L251 HydrophobicContact CZ-CG 4.13Å; F247-L251 WeakPolarHBondContact O-CG 3.49Å; F247-L251 PolarHBondContact O-N 3.4Å; L248-L251 PolarHBondContact O-N 3.04Å; T249-L251 VanDerWaalsContact C-N 3.31Å; T249-L251 PolarHBondContact O-N 3.2Å; L251-E253 VanDerWaalsContact C-N 3.27Å; L251-E253 PolarHBondContact O-N 2.94Å; L251-L254 HydrophobicContact CD2-CD1 4.37Å; L251-L254 PolarHBondContact O-N 3.14Å; L251-L255 WeakPolarHBondContact O-CB 3.21Å; L251-L255 VanDerWaalsContact O-CG 3.27Å; L251-L255 WeakPolarHBondContact O-CG 3.25Å; L251-L255 PolarHBondContact O-N 3.14Å; L251-A300 HydrophobicContact CD1-CB 3.62Å
252D93.8Very high92.8Very high48 Ų4854.3 Ų54.326%0.25727%0.266SS..Hα-helixtrans-61.3-37.2176.6-61.5-23.3000111.6L248 T249 Q250 L255 T256 R296L248-D252 PolarHBondContact O-N 2.91Å; L248-D252 VanDerWaalsContact O-OD1 3.13Å; T249-D252 WeakPolarHBondContact O-CB 3.39Å; T249-D252 PolarHBondContact O-N 3.26Å; Q250-D252 VanDerWaalsContact C-N 3.33Å; D252-L255 PolarHBondContact O-N 3.36Å; D252-T256 WeakPolarHBondContact O-CB 3.49Å; D252-T256 PolarHBondContact O-N 3.2Å; D252-T256 PolarHBondContact O-OG1 3.33Å; D252-R296 VanDerWaalsContact CG-NH2 3.27Å; D252-R296 IonicContact OD1-CZ 3.07Å; D252-R296 VanDerWaalsContact OD1-CZ 3.27Å; D252-R296 IonicContact OD1-NE 2.68Å; D252-R296 PolarHBondContact OD1-NE 2.98Å; D252-R296 IonicContact OD1-NH2 3.53Å; D252-R296 PolarHBondContact OD1-NH2 3.35Å; D252-R296 IonicContact OD2-CZ 3.94Å; D252-R296 IonicContact OD2-NE 3.85Å; D252-R296 IonicContact OD2-NH1 3.1Å; D252-R296 IonicContact OD2-NH2 3.68Å; D252-R296 PolarHBondContact OD2-NH2 3.48Å
253E92.7Very high92.8Very high92 Ų9250.1 Ų50.143%0.4326%0.256SS..Hα-helixtrans-60.9-48.3174.4-66.7173.6-178.600110.8T249 Q250 L251 L255 T256 E257T249-E253 PolarHBondContact O-N 3.36Å; Q250-E253 WeakPolarHBondContact O-CB 3.35Å; Q250-E253 PolarHBondContact O-N 2.91Å; L251-E253 VanDerWaalsContact C-N 3.27Å; L251-E253 PolarHBondContact O-N 2.94Å; E253-L255 PolarHBondContact O-N 3.15Å; E253-T256 WeakPolarHBondContact O-CB 3.06Å; E253-T256 PolarHBondContact O-N 3.03Å; E253-E257 PolarHBondContact O-N 3.36Å
254L92.1Very high92.8Very high12 Ų1253.8 Ų53.86%0.06328%0.279CS..Hα-helixtrans-64.2-40.4177.8-64.5177.6000112.4Y191 F195 L205 Q250 L251 T256 E257 H258Y191-L254 HydrophobicContact CE1-CB 3.98Å; Y191-L254 HydrophobicContact CE2-CD1 4.44Å; F195-L254 HydrophobicContact CE1-CD2 4.09Å; F195-L254 HydrophobicContact CZ-CD1 4.02Å; F195-L254 HydrophobicContact CZ-CD2 3.97Å; L205-L254 HydrophobicContact CD2-CD1 4.34Å; Q250-L254 PolarHBondContact O-N 2.78Å; L251-L254 HydrophobicContact CD2-CD1 4.37Å; L251-L254 PolarHBondContact O-N 3.14Å; L254-T256 VanDerWaalsContact C-N 3.31Å; L254-T256 PolarHBondContact O-N 3.38Å; L254-E257 PolarHBondContact O-N 2.87Å; L254-H258 WeakPolarHBondContact O-CB 3.02Å; L254-H258 PolarHBondContact O-N 2.94Å
255L94.3Very high92.9Very high9 Ų956.7 Ų56.75%0.04731%0.307CS..Hα-helixtrans-65.6-36176.4-71.4169.7000111.7Y191 L251 D252 E253 H258 R259 T272 L295 R296 V299Y191-L255 HydrophobicContact CE1-CD2 3.78Å; Y191-L255 HydrophobicContact CE1-CG 4.15Å; L251-L255 WeakPolarHBondContact O-CB 3.21Å; L251-L255 VanDerWaalsContact O-CG 3.27Å; L251-L255 WeakPolarHBondContact O-CG 3.25Å; L251-L255 PolarHBondContact O-N 3.14Å; D252-L255 PolarHBondContact O-N 3.36Å; E253-L255 PolarHBondContact O-N 3.15Å; L255-H258 PolarHBondContact O-N 3.4Å; L255-R259 VanDerWaalsContact O-CG 3.26Å; L255-R259 WeakPolarHBondContact O-CG 3.3Å; L255-R259 PolarHBondContact O-N 3.18Å; L255-T272 HydrophobicContact CD2-CG2 3.72Å; L255-L295 HydrophobicContact CD1-CG 4.36Å; L255-L295 HydrophobicContact CD2-CD2 4.24Å; L255-L295 HydrophobicContact CD2-CG 4.28Å; L255-R296 HydrophobicContact CD1-CB 3.95Å; L255-V299 HydrophobicContact CD2-CG2 4.28Å
256T94.6Very high92.8Very high76 Ų7656.5 Ų56.547%0.46631%0.308SS..Hα-helixtrans-65.9-46.4175.9-580000110.8D252 E253 L254 H258 R259 M260D252-T256 WeakPolarHBondContact O-CB 3.49Å; D252-T256 PolarHBondContact O-N 3.2Å; D252-T256 PolarHBondContact O-OG1 3.33Å; E253-T256 WeakPolarHBondContact O-CB 3.06Å; E253-T256 PolarHBondContact O-N 3.03Å; L254-T256 VanDerWaalsContact C-N 3.31Å; L254-T256 PolarHBondContact O-N 3.38Å; T256-H258 VanDerWaalsContact C-N 3.33Å; T256-H258 PolarHBondContact O-N 2.98Å; T256-R259 PolarHBondContact O-N 2.93Å; T256-M260 PolarHBondContact O-N 3.36Å
257E92.1Very high92.7Very high74 Ų7460 Ų6035%0.34633%0.328SS..Hα-helixtrans-58.1-46.2173.4-72.1177.6-163.700111.1R193 R201 E253 L254 R259 M260 T261R193-E257 IonicContact NH1-OE2 2.94Å; R201-E257 VanDerWaalsContact NH1-CD 3.33Å; R201-E257 IonicContact NH1-OE1 3.93Å; R201-E257 PolarHBondContact NH1-OE1 3.06Å; R201-E257 IonicContact NH1-OE2 3.74Å; R201-E257 PolarHBondContact NH1-OE2 3.15Å; R201-E257 VanDerWaalsContact NH1-OE2 3.08Å; E253-E257 PolarHBondContact O-N 3.36Å; L254-E257 PolarHBondContact O-N 2.87Å; E257-R259 VanDerWaalsContact C-N 3.33Å; E257-R259 PolarHBondContact O-N 3.03Å; E257-M260 WeakPolarHBondContact O-CB 3.46Å; E257-M260 PolarHBondContact O-N 2.78Å; E257-M260 VanDerWaalsContact O-N 3.09Å; E257-T261 PolarHBondContact O-N 3.26Å
258H93.1Very high92.6Very high11 Ų1162.1 Ų62.15%0.05134%0.343CS..Hα-helixtrans-60.7-42.1-178-158.964.8000112.4Y191 L254 L255 T256 M260 T261 W262 D270Y191-H258 VanDerWaalsContact C-CE1 3.42Å; Y191-H258 PolarHBondContact O-CE1 3.32Å; Y191-H258 PolarHBondContact O-ND1 3.04Å; L254-H258 WeakPolarHBondContact O-CB 3.02Å; L254-H258 PolarHBondContact O-N 2.94Å; L255-H258 PolarHBondContact O-N 3.4Å; T256-H258 VanDerWaalsContact C-N 3.33Å; T256-H258 PolarHBondContact O-N 2.98Å; H258-M260 VanDerWaalsContact C-N 3.26Å; H258-M260 PolarHBondContact O-N 2.98Å; H258-T261 CarbonylContact O-C 3.48Å; H258-T261 PolarHBondContact O-N 3.4Å; H258-T261 PolarHBondContact O-OG1 3.12Å; H258-W262 PolarHBondContact O-N 3.44Å; H258-W262 VanDerWaalsContact O-N 3.09Å; H258-D270 IonicContact CD2-OD1 3.23Å; H258-D270 IonicContact CE1-OD1 3.71Å; H258-D270 IonicContact CE1-OD2 3.27Å; H258-D270 PolarHBondContact CE1-OD2 2.78Å; H258-D270 VanDerWaalsContact NE2-CG 3.26Å; H258-D270 IonicContact NE2-OD1 2.62Å; H258-D270 PolarHBondContact NE2-OD1 2.66Å; H258-D270 IonicContact NE2-OD2 3.18Å; H258-D270 PolarHBondContact NE2-OD2 3.03Å
259R92.9Very high92.5Very high79 Ų7968.2 Ų68.230%0.29837%0.365SS..Hα-helixtrans-59.1-34.7175.3-76.7168.8-177.8-95.5-4.2113.2L255 T256 E257 T261 W262 L276 E292L255-R259 VanDerWaalsContact O-CG 3.26Å; L255-R259 WeakPolarHBondContact O-CG 3.3Å; L255-R259 PolarHBondContact O-N 3.18Å; T256-R259 PolarHBondContact O-N 2.93Å; E257-R259 VanDerWaalsContact C-N 3.33Å; E257-R259 PolarHBondContact O-N 3.03Å; R259-T261 PolarHBondContact O-N 2.96Å; R259-W262 PolarHBondContact O-N 2.83Å; R259-L276 HydrophobicContact CG-CD1 3.98Å; R259-L276 HydrophobicContact CG-CD2 4.35Å; R259-E292 IonicContact CZ-OE1 2.78Å; R259-E292 IonicContact CZ-OE2 2.73Å; R259-E292 IonicContact NH1-OE1 3.66Å; R259-E292 PolarHBondContact NH1-OE1 3.2Å; R259-E292 IonicContact NH1-OE2 2.7Å; R259-E292 IonicContact NH2-OE1 3.23Å; R259-E292 PolarHBondContact NH2-OE1 2.68Å; R259-E292 IonicContact NH2-OE2 2.79Å; R259-E292 PolarHBondContact NH2-OE2 2.73Å
260M93.1Very high92.4Very high160 Ų16065.1 Ų65.179%0.78835%0.347SS*.Hα-helixtrans-69.7-25.3178-66.4-176.4169.300112.4T256 E257 H258T256-M260 PolarHBondContact O-N 3.36Å; E257-M260 WeakPolarHBondContact O-CB 3.46Å; E257-M260 PolarHBondContact O-N 2.78Å; E257-M260 VanDerWaalsContact O-N 3.09Å; H258-M260 VanDerWaalsContact C-N 3.26Å; H258-M260 PolarHBondContact O-N 2.98Å
261T92.1Very high92.6Very high87 Ų8765 Ų6553%0.53435%0.346SS..Hα-helixtrans-99.7-1.9-179.561.80000114E257 H258 R259E257-T261 PolarHBondContact O-N 3.26Å; H258-T261 CarbonylContact O-C 3.48Å; H258-T261 PolarHBondContact O-N 3.4Å; H258-T261 PolarHBondContact O-OG1 3.12Å; R259-T261 PolarHBondContact O-N 2.96Å
262W93.4Very high92.8Very high50 Ų5065 Ų6519%0.18935%0.346CS..  trans-74.6125.6-179174.341.8000110.9H258 R259 P264 E273 L276 E280H258-W262 PolarHBondContact O-N 3.44Å; H258-W262 VanDerWaalsContact O-N 3.09Å; R259-W262 PolarHBondContact O-N 2.83Å; W262-P264 HydrophobicContact CH2-CB 4.14Å; W262-P264 HydrophobicContact CZ2-CB 3.77Å; W262-P264 WeakPolarHBondContact O-CD 3.29Å; W262-E273 VanDerWaalsContact CD1-CG 3.5Å; W262-E273 HydrophobicContact CG-CG 4.21Å; W262-L276 HydrophobicContact CD2-CB 4.35Å; W262-L276 HydrophobicContact CD2-CD1 3.93Å; W262-L276 HydrophobicContact CE3-CB 4.24Å; W262-L276 HydrophobicContact CE3-CD1 3.85Å; W262-L276 HydrophobicContact CG-CD1 4.25Å; W262-L276 HydrophobicContact CH2-CB 3.81Å; W262-L276 HydrophobicContact CZ2-CB 3.93Å; W262-L276 HydrophobicContact CZ3-CB 3.98Å; W262-L276 HydrophobicContact CZ3-CD1 4.35Å; W262-E280 HydrophobicContact CH2-CG 3.95Å
263D91.9Very high92.9Very high76 Ų7662.8 Ų62.841%0.40633%0.334SS..  trans-104.1104.3170.6-177.30.6000110.1A265 Q266D263-A265 PolarHBondContact O-N 3.08Å; D263-A265 VanDerWaalsContact OD1-CB 3.27Å; D263-A265 WeakPolarHBondContact OD1-CB 3.26Å; D263-A265 PolarHBondContact OD1-N 2.96Å; D263-Q266 HydrophobicContact CB-CG 4.44Å; D263-Q266 PolarHBondContact O-N 3.21Å; D263-Q266 WeakPolarHBondContact OD2-CG 3.44Å
264P91.9Very high93.1Very high96 Ų9659.1 Ų59.162%0.62332%0.319SS*.THydrogen-bonded Turntrans-69.3-10.4-179.729.7-35.6000113.5W262 Q266W262-P264 HydrophobicContact CH2-CB 4.14Å; W262-P264 HydrophobicContact CZ2-CB 3.77Å; W262-P264 WeakPolarHBondContact O-CD 3.29Å; P264-Q266 VanDerWaalsContact C-N 3.32Å
265A92.7Very high93.3Very high83 Ų8358.5 Ų58.569%0.68632%0.316SS*.THydrogen-bonded Turntrans-79.2-16.2176.300000112.9D263D263-A265 PolarHBondContact O-N 3.08Å; D263-A265 VanDerWaalsContact OD1-CB 3.27Å; D263-A265 WeakPolarHBondContact OD1-CB 3.26Å; D263-A265 PolarHBondContact OD1-N 2.96Å
266Q91.7Very high93.5Very high118 Ų11858.2 Ų58.255%0.55132%0.315SS*.SBendtrans-101.8156.6179.8-63.4-60.3-33.700112D263 P264D263-Q266 HydrophobicContact CB-CG 4.44Å; D263-Q266 PolarHBondContact O-N 3.21Å; D263-Q266 WeakPolarHBondContact OD2-CG 3.44Å; P264-Q266 VanDerWaalsContact C-N 3.32Å
267P90.4Very high93.6Very high100 Ų10055.8 Ų55.865%0.64930%0.303SS*.PPolyproline II helixtrans-58.3139.3169.5-22.433.8000111.3R269P267-R269 PolarHBondContact O-N 3.22Å
268P92.1Very high93.8Very high54 Ų5455.2 Ų55.235%0.35130%0.3SS..PPolyproline II helixtrans-55.5129.4178.9-28.235.4000113.3E273 A274P268-E273 WeakPolarHBondContact CA-OE2 3.46Å; P268-E273 HydrophobicContact CB-CB 3.89Å; P268-A274 HydrophobicContact CB-CB 3.83Å; P268-A274 HydrophobicContact CG-CB 4.24Å
269R90.2Very high94Very high139 Ų13955.8 Ų55.853%0.52530%0.303SS..  trans-88.3-24.5-178.6-59.5177.9-66173.2-0.8113.1L142 P267 E273L142-R269 WeakPolarHBondContact CD2-O 2.99Å; P267-R269 PolarHBondContact O-N 3.22Å; R269-E273 WeakPolarHBondContact CB-OE2 3.49Å; R269-E273 IonicContact CZ-OE1 3.22Å; R269-E273 VanDerWaalsContact CZ-OE1 3.27Å; R269-E273 PolarHBondContact N-OE2 3Å; R269-E273 IonicContact NE-OE1 2.72Å; R269-E273 PolarHBondContact NE-OE1 2.75Å; R269-E273 IonicContact NE-OE2 3.86Å; R269-E273 IonicContact NH2-OE1 3.82Å; R269-E273 PolarHBondContact NH2-OE1 3.15Å
270D92.6Very high94.1Very high0 Ų056.3 Ų56.30%031%0.309CS..SBendtrans-144175-176.757.466.1000111.3L189 G192 H258 T272 E273 A274L189-D270 WeakPolarHBondContact O-CB 3.45Å; G192-D270 PolarHBondContact N-OD2 3.38Å; H258-D270 IonicContact CD2-OD1 3.23Å; H258-D270 IonicContact CE1-OD1 3.71Å; H258-D270 IonicContact CE1-OD2 3.27Å; H258-D270 PolarHBondContact CE1-OD2 2.78Å; H258-D270 VanDerWaalsContact NE2-CG 3.26Å; H258-D270 IonicContact NE2-OD1 2.62Å; H258-D270 PolarHBondContact NE2-OD1 2.66Å; H258-D270 IonicContact NE2-OD2 3.18Å; H258-D270 PolarHBondContact NE2-OD2 3.03Å; D270-T272 VanDerWaalsContact C-N 3.32Å; D270-T272 PolarHBondContact O-N 2.86Å; D270-T272 WeakPolarHBondContact OD1-CA 3.45Å; D270-T272 WeakPolarHBondContact OD1-CB 3.31Å; D270-T272 PolarHBondContact OD1-N 3.09Å; D270-E273 PolarHBondContact OD1-N 3.1Å; D270-A274 PolarHBondContact O-N 3.44Å; D270-A274 VanDerWaalsContact O-N 3.14Å
271L94.8Very high94.3Very high0 Ų055.9 Ų55.90%030%0.302CS..Hα-helixtrans-66.7-32.9-177.2-176.1145000112.7F134 T138 L142 L189 A274 F275 V298 V299 L302F134-L271 HydrophobicContact CE1-CD1 4.26Å; F134-L271 HydrophobicContact CE1-CD2 3.98Å; F134-L271 HydrophobicContact CE1-CG 3.82Å; F134-L271 HydrophobicContact CZ-CG 4.22Å; T138-L271 HydrophobicContact CG2-CB 3.96Å; T138-L271 HydrophobicContact CG2-CD1 4.08Å; T138-L271 HydrophobicContact CG2-CG 3.98Å; L142-L271 HydrophobicContact CD1-CB 4.5Å; L189-L271 PolarHBondContact O-N 3.33Å; L271-A274 PolarHBondContact O-N 3.35Å; L271-F275 WeakPolarHBondContact O-CB 3.43Å; L271-F275 PolarHBondContact O-N 3.31Å; L271-V298 HydrophobicContact CD2-CG1 4.34Å; L271-V299 HydrophobicContact CD2-CG2 4.39Å; L271-L302 HydrophobicContact CD1-CD1 3.38Å; L271-L302 HydrophobicContact CD2-CD1 3.98Å; L271-L302 HydrophobicContact CG-CD1 4.32Å
272T96.4Very high94.4Very high0 Ų052.5 Ų52.50%028%0.283CS..Hα-helixtrans-67.7-48178.9-64.40000110.3T190 L255 D270 A274 F275 L276 L295T190-T272 WeakPolarHBondContact O-CB 3.3Å; T190-T272 PolarHBondContact O-N 2.94Å; T190-T272 PolarHBondContact O-OG1 3.14Å; L255-T272 HydrophobicContact CD2-CG2 3.72Å; D270-T272 VanDerWaalsContact C-N 3.32Å; D270-T272 PolarHBondContact O-N 2.86Å; D270-T272 WeakPolarHBondContact OD1-CA 3.45Å; D270-T272 WeakPolarHBondContact OD1-CB 3.31Å; D270-T272 PolarHBondContact OD1-N 3.09Å; T272-A274 VanDerWaalsContact C-N 3.28Å; T272-A274 PolarHBondContact O-N 2.95Å; T272-F275 WeakPolarHBondContact O-CB 3.39Å; T272-F275 PolarHBondContact O-N 3.33Å; T272-F275 VanDerWaalsContact O-N 3.08Å; T272-L276 HydrophobicContact CG2-CD1 4.11Å; T272-L276 HydrophobicContact CG2-CG 4.29Å; T272-L276 VanDerWaalsContact O-CG 3.28Å; T272-L276 WeakPolarHBondContact O-CG 3.42Å; T272-L276 PolarHBondContact O-N 2.77Å; T272-L295 HydrophobicContact CG2-CD1 4.22Å; T272-L295 HydrophobicContact CG2-CD2 4.47Å
273E95.8Very high94.4Very high2 Ų257 Ų571%0.00930%0.304CS..Hα-helixtrans-59.4-40.2175.9-66.8-175.7174.900111.8W262 P268 R269 D270 F275 L276 A277W262-E273 VanDerWaalsContact CD1-CG 3.5Å; W262-E273 HydrophobicContact CG-CG 4.21Å; P268-E273 WeakPolarHBondContact CA-OE2 3.46Å; P268-E273 HydrophobicContact CB-CB 3.89Å; R269-E273 WeakPolarHBondContact CB-OE2 3.49Å; R269-E273 IonicContact CZ-OE1 3.22Å; R269-E273 VanDerWaalsContact CZ-OE1 3.27Å; R269-E273 PolarHBondContact N-OE2 3Å; R269-E273 IonicContact NE-OE1 2.72Å; R269-E273 PolarHBondContact NE-OE1 2.75Å; R269-E273 IonicContact NE-OE2 3.86Å; R269-E273 IonicContact NH2-OE1 3.82Å; R269-E273 PolarHBondContact NH2-OE1 3.15Å; D270-E273 PolarHBondContact OD1-N 3.1Å; E273-F275 VanDerWaalsContact C-N 3.29Å; E273-F275 PolarHBondContact O-N 3.14Å; E273-L276 PolarHBondContact O-N 2.8Å; E273-A277 WeakPolarHBondContact O-CB 3.39Å; E273-A277 PolarHBondContact O-N 2.82Å
274A96.3Very high94.5Very high15 Ų1557.4 Ų57.412%0.12433%0.327CS..Hα-helixtrans-64.3-38.1176.700000111.3F134 T138 P268 D270 L271 T272 E278F134-A274 HydrophobicContact CE2-CB 4.01Å; F134-A274 HydrophobicContact CZ-CB 3.95Å; T138-A274 HydrophobicContact CG2-CB 4.09Å; P268-A274 HydrophobicContact CB-CB 3.83Å; P268-A274 HydrophobicContact CG-CB 4.24Å; D270-A274 PolarHBondContact O-N 3.44Å; D270-A274 VanDerWaalsContact O-N 3.14Å; L271-A274 PolarHBondContact O-N 3.35Å; T272-A274 VanDerWaalsContact C-N 3.28Å; T272-A274 PolarHBondContact O-N 2.95Å; A274-E278 PolarHBondContact O-N 2.86Å
275F97.8Very high94.6Very high0 Ų056.8 Ų56.80%032%0.318CS..Hα-helixtrans-68.7-44.2176.9-163.9-70.9000111Q131 F134 L271 T272 E273 A277 E278 M279 F290 N294 L295 V298Q131-F275 VanDerWaalsContact OE1-CE2 3.24Å; F134-F275 HydrophobicContact CD1-CD2 4.2Å; F134-F275 HydrophobicContact CE1-CB 4.13Å; F134-F275 AromaticContact CE1-CD2 3.65Å; F134-F275 HydrophobicContact CE1-CD2 3.65Å; F134-F275 HydrophobicContact CE1-CG 4.35Å; F134-F275 HydrophobicContact CZ-CB 3.76Å; F134-F275 HydrophobicContact CZ-CD2 4.07Å; F134-F275 HydrophobicContact CZ-CG 4.34Å; L271-F275 WeakPolarHBondContact O-CB 3.43Å; L271-F275 PolarHBondContact O-N 3.31Å; T272-F275 WeakPolarHBondContact O-CB 3.39Å; T272-F275 PolarHBondContact O-N 3.33Å; T272-F275 VanDerWaalsContact O-N 3.08Å; E273-F275 VanDerWaalsContact C-N 3.29Å; E273-F275 PolarHBondContact O-N 3.14Å; F275-A277 VanDerWaalsContact C-N 3.3Å; F275-A277 PolarHBondContact O-N 2.81Å; F275-E278 PolarHBondContact O-N 2.92Å; F275-E278 VanDerWaalsContact O-N 3.13Å; F275-M279 HydrophobicContact CD1-CG 3.62Å; F275-M279 HydrophobicContact CD1-SD 3.52Å; F275-M279 VanDerWaalsContact CD1-SD 3.52Å; F275-M279 HydrophobicContact CE1-CG 3.62Å; F275-M279 HydrophobicContact CE1-SD 3.55Å; F275-M279 VanDerWaalsContact CE1-SD 3.55Å; F275-M279 WeakPolarHBondContact O-CG 3.34Å; F275-M279 PolarHBondContact O-N 3.07Å; F275-F290 HydrophobicContact CD1-CD1 4Å; F275-F290 AromaticContact CD2-CD1 3.9Å; F275-F290 HydrophobicContact CD2-CD1 3.9Å; F275-F290 HydrophobicContact CD2-CE1 4.04Å; F275-F290 HydrophobicContact CE1-CB 4.22Å; F275-F290 AromaticContact CE1-CD1 3.86Å; F275-F290 HydrophobicContact CE1-CD1 3.86Å; F275-F290 AromaticContact CE2-CD1 3.77Å; F275-F290 HydrophobicContact CE2-CD1 3.77Å; F275-F290 HydrophobicContact CE2-CE1 4.1Å; F275-F290 HydrophobicContact CG-CD1 4.02Å; F275-F290 HydrophobicContact CG-CE1 4.43Å; F275-F290 HydrophobicContact CZ-CB 4.49Å; F275-F290 AromaticContact CZ-CD1 3.74Å; F275-F290 HydrophobicContact CZ-CD1 3.74Å; F275-N294 HydrophobicContact CZ-CB 4.31Å; F275-L295 HydrophobicContact CB-CD1 3.82Å; F275-L295 HydrophobicContact CD1-CB 3.9Å; F275-L295 HydrophobicContact CD1-CD1 3.61Å; F275-L295 HydrophobicContact CD1-CG 4.24Å; F275-L295 HydrophobicContact CD2-CD1 4.2Å; F275-L295 HydrophobicContact CE1-CB 3.66Å; F275-L295 HydrophobicContact CE1-CD1 4.21Å; F275-L295 HydrophobicContact CE1-CG 4.49Å; F275-L295 HydrophobicContact CG-CD1 3.62Å; F275-L295 HydrophobicContact CZ-CB 4.17Å; F275-V298 HydrophobicContact CE2-CB 4.22Å; F275-V298 HydrophobicContact CE2-CG1 4.41Å; F275-V298 HydrophobicContact CE2-CG2 4.06Å
276L97.1Very high94.6Very high3 Ų358.3 Ų58.32%0.01632%0.321CS..Hα-helixtrans-58.9-41.6176.1-67.5174.6000111.5R259 W262 T272 E273 E278 M279 E280 L295R259-L276 HydrophobicContact CG-CD1 3.98Å; R259-L276 HydrophobicContact CG-CD2 4.35Å; W262-L276 HydrophobicContact CD2-CB 4.35Å; W262-L276 HydrophobicContact CD2-CD1 3.93Å; W262-L276 HydrophobicContact CE3-CB 4.24Å; W262-L276 HydrophobicContact CE3-CD1 3.85Å; W262-L276 HydrophobicContact CG-CD1 4.25Å; W262-L276 HydrophobicContact CH2-CB 3.81Å; W262-L276 HydrophobicContact CZ2-CB 3.93Å; W262-L276 HydrophobicContact CZ3-CB 3.98Å; W262-L276 HydrophobicContact CZ3-CD1 4.35Å; T272-L276 HydrophobicContact CG2-CD1 4.11Å; T272-L276 HydrophobicContact CG2-CG 4.29Å; T272-L276 VanDerWaalsContact O-CG 3.28Å; T272-L276 WeakPolarHBondContact O-CG 3.42Å; T272-L276 PolarHBondContact O-N 2.77Å; E273-L276 PolarHBondContact O-N 2.8Å; L276-E278 VanDerWaalsContact C-N 3.34Å; L276-E278 PolarHBondContact O-N 2.77Å; L276-M279 HydrophobicContact CD2-SD 4.17Å; L276-M279 WeakPolarHBondContact O-CB 3.41Å; L276-M279 PolarHBondContact O-N 2.88Å; L276-E280 PolarHBondContact O-N 3.44Å; L276-L295 HydrophobicContact CD2-CD2 3.92Å
277A96.6Very high94.8Very high25 Ų2558.7 Ų58.721%0.20732%0.323CS..Hα-helixtrans-63.1-37.9175.300000112.8E273 F275 K281E273-A277 WeakPolarHBondContact O-CB 3.39Å; E273-A277 PolarHBondContact O-N 2.82Å; F275-A277 VanDerWaalsContact C-N 3.3Å; F275-A277 PolarHBondContact O-N 2.81Å; A277-K281 WeakPolarHBondContact O-CG 3.27Å; A277-K281 PolarHBondContact O-N 2.89Å
278E97.6Very high95.1Very high61 Ų6154.4 Ų54.429%0.28530%0.295SS..Hα-helixtrans-71.3-34.5173.6-67.8-56.3132.400112.3F134 A274 F275 L276 E280 K281 A282 F290F134-E278 HydrophobicContact CD2-CG 4.4Å; F134-E278 HydrophobicContact CE2-CG 4.25Å; A274-E278 PolarHBondContact O-N 2.86Å; F275-E278 PolarHBondContact O-N 2.92Å; F275-E278 VanDerWaalsContact O-N 3.13Å; L276-E278 VanDerWaalsContact C-N 3.34Å; L276-E278 PolarHBondContact O-N 2.77Å; E278-E280 VanDerWaalsContact C-N 3.34Å; E278-E280 PolarHBondContact O-N 2.74Å; E278-K281 PolarHBondContact O-N 3.24Å; E278-K281 IonicContact OE1-NZ 3.88Å; E278-K281 PolarHBondContact OE1-NZ 3.04Å; E278-A282 VanDerWaalsContact O-CB 3.28Å; E278-A282 WeakPolarHBondContact O-CB 3.48Å; E278-A282 PolarHBondContact O-N 3.32Å; E278-F290 HydrophobicContact CB-CB 4.35Å; E278-F290 HydrophobicContact CB-CD1 3.58Å; E278-F290 HydrophobicContact CB-CD2 3.93Å; E278-F290 HydrophobicContact CB-CE1 3.72Å; E278-F290 HydrophobicContact CB-CE2 4.04Å; E278-F290 HydrophobicContact CB-CG 3.69Å; E278-F290 HydrophobicContact CB-CZ 3.94Å; E278-F290 HydrophobicContact CG-CD1 4.44Å; E278-F290 HydrophobicContact CG-CE1 4.08Å; E278-F290 HydrophobicContact CG-CE2 4.39Å; E278-F290 HydrophobicContact CG-CZ 4.04Å
279M96.8Very high95.3Very high23 Ų2351.8 Ų51.811%0.11328%0.278CS..Hα-helixtrans-60.7-42.8172.7-72.2178.559.600111.9F275 L276 K281 A282 K283 F290 E292 L295F275-M279 HydrophobicContact CD1-CG 3.62Å; F275-M279 HydrophobicContact CD1-SD 3.52Å; F275-M279 VanDerWaalsContact CD1-SD 3.52Å; F275-M279 HydrophobicContact CE1-CG 3.62Å; F275-M279 HydrophobicContact CE1-SD 3.55Å; F275-M279 VanDerWaalsContact CE1-SD 3.55Å; F275-M279 WeakPolarHBondContact O-CG 3.34Å; F275-M279 PolarHBondContact O-N 3.07Å; L276-M279 HydrophobicContact CD2-SD 4.17Å; L276-M279 WeakPolarHBondContact O-CB 3.41Å; L276-M279 PolarHBondContact O-N 2.88Å; M279-K281 VanDerWaalsContact C-N 3.35Å; M279-K281 PolarHBondContact O-N 3.11Å; M279-A282 PolarHBondContact O-N 2.95Å; M279-A282 VanDerWaalsContact O-N 3.16Å; M279-K283 PolarHBondContact O-N 2.92Å; M279-F290 HydrophobicContact CG-CB 3.83Å; M279-E292 HydrophobicContact CE-CG 3.85Å; M279-E292 WeakPolarHBondContact CE-OE1 3.35Å; M279-L295 HydrophobicContact SD-CB 4.34Å; M279-L295 HydrophobicContact SD-CD2 4.41Å
280E95.7Very high95.7Very high91 Ų9146.1 Ų46.143%0.42526%0.257SS..Hα-helixtrans-60-43.8176-75.5-61132.200112W262 L276 E278 A282 K283W262-E280 HydrophobicContact CH2-CG 3.95Å; L276-E280 PolarHBondContact O-N 3.44Å; E278-E280 VanDerWaalsContact C-N 3.34Å; E278-E280 PolarHBondContact O-N 2.74Å; E280-A282 VanDerWaalsContact C-N 3.27Å; E280-A282 PolarHBondContact O-N 3.4Å; E280-K283 VanDerWaalsContact CD-CE 3.41Å; E280-K283 WeakPolarHBondContact O-CG 3.24Å; E280-K283 PolarHBondContact O-N 2.82Å; E280-K283 WeakPolarHBondContact OE1-CE 2.99Å; E280-K283 IonicContact OE1-NZ 2.61Å; E280-K283 PolarHBondContact OE1-NZ 3.44Å; E280-K283 WeakPolarHBondContact OE2-CE 3.22Å; E280-K283 IonicContact OE2-NZ 2.68Å; E280-K283 PolarHBondContact OE2-NZ 3.48Å
281K95.9Very high95.9Very high151 Ų15147.7 Ų47.766%0.65727%0.265SS*.Hα-helixtrans-66.9-28.9175.9-64.5170.6-164.6169.40112.8A277 E278 M279 K283A277-K281 WeakPolarHBondContact O-CG 3.27Å; A277-K281 PolarHBondContact O-N 2.89Å; E278-K281 PolarHBondContact O-N 3.24Å; E278-K281 IonicContact OE1-NZ 3.88Å; E278-K281 PolarHBondContact OE1-NZ 3.04Å; M279-K281 VanDerWaalsContact C-N 3.35Å; M279-K281 PolarHBondContact O-N 3.11Å; K281-K283 VanDerWaalsContact C-N 3.35Å
282A95.6Very high95.9Very high15 Ų1552 Ų5212%0.12429%0.286CS..THydrogen-bonded Turntrans-86.2-0.4-178.300000114.1E278 M279 E280 G284 N285 S288 F290E278-A282 VanDerWaalsContact O-CB 3.28Å; E278-A282 WeakPolarHBondContact O-CB 3.48Å; E278-A282 PolarHBondContact O-N 3.32Å; M279-A282 PolarHBondContact O-N 2.95Å; M279-A282 VanDerWaalsContact O-N 3.16Å; E280-A282 VanDerWaalsContact C-N 3.27Å; E280-A282 PolarHBondContact O-N 3.4Å; A282-G284 PolarHBondContact O-N 3.12Å; A282-N285 WeakPolarHBondContact O-CB 3.5Å; A282-N285 PolarHBondContact O-N 3.45Å; A282-S288 VanDerWaalsContact CB-OG 3.22Å; A282-S288 WeakPolarHBondContact CB-OG 3.31Å; A282-F290 HydrophobicContact CB-CB 4.31Å
283K93.6Very high95.8Very high144 Ų14456.9 Ų56.963%0.62631%0.308SS*.THydrogen-bonded Turntrans-54.5125.6178.2-77.9-179.8173.5171.90111.1M279 E280 K281M279-K283 PolarHBondContact O-N 2.92Å; E280-K283 VanDerWaalsContact CD-CE 3.41Å; E280-K283 WeakPolarHBondContact O-CG 3.24Å; E280-K283 PolarHBondContact O-N 2.82Å; E280-K283 WeakPolarHBondContact OE1-CE 2.99Å; E280-K283 IonicContact OE1-NZ 2.61Å; E280-K283 PolarHBondContact OE1-NZ 3.44Å; E280-K283 WeakPolarHBondContact OE2-CE 3.22Å; E280-K283 IonicContact OE2-NZ 2.68Å; E280-K283 PolarHBondContact OE2-NZ 3.48Å; K281-K283 VanDerWaalsContact C-N 3.35Å
284G93.3Very high95.9Very high86 Ų8656.8 Ų56.889%0.88731%0.308SS*.THydrogen-bonded Turntrans86.2-2.7-17700000115.2A282 P286A282-G284 PolarHBondContact O-N 3.12Å; G284-P286 WeakPolarHBondContact O-CD 3.45Å
285N94.7Very high95.9Very high82 Ų8256.1 Ų56.144%0.43930%0.302SS..  trans-101102.2174.9-1784.2000111.7A282 E287 S288A282-N285 WeakPolarHBondContact O-CB 3.5Å; A282-N285 PolarHBondContact O-N 3.45Å; N285-E287 PolarHBondContact O-N 2.75Å; N285-E287 WeakPolarHBondContact OD1-CB 3.48Å; N285-E287 PolarHBondContact OD1-N 3.13Å; N285-S288 WeakPolarHBondContact O-CB 3.48Å; N285-S288 PolarHBondContact O-N 2.75Å
286P92.4Very high95.8Very high115 Ų11558.8 Ų58.875%0.74731%0.313SS*.THydrogen-bonded Turntrans-71.1-10.7179.931.6-36.5000113.7G284G284-P286 WeakPolarHBondContact O-CD 3.45Å
287E94.8Very high95.8Very high127 Ų12758.8 Ų58.859%0.59331%0.313SS*.THydrogen-bonded Turntrans-85.8-14.6177.3-57.1-165.9164.500113.3R115 N285R115-E287 WeakPolarHBondContact CD-O 3.25Å; R115-E287 PolarHBondContact NE-O 3.35Å; R115-E287 PolarHBondContact NH1-O 2.97Å; N285-E287 PolarHBondContact O-N 2.75Å; N285-E287 WeakPolarHBondContact OD1-CB 3.48Å; N285-E287 PolarHBondContact OD1-N 3.13Å
288S96.6Very high95.8Very high9 Ų957.6 Ų57.66%0.06330%0.303CS..  trans-67.1137.7179.7-177.60000111.5A282 N285 F290 N291A282-S288 VanDerWaalsContact CB-OG 3.22Å; A282-S288 WeakPolarHBondContact CB-OG 3.31Å; N285-S288 WeakPolarHBondContact O-CB 3.48Å; N285-S288 PolarHBondContact O-N 2.75Å; S288-F290 VanDerWaalsContact C-N 3.31Å; S288-F290 WeakPolarHBondContact OG-CB 3.46Å; S288-F290 PolarHBondContact OG-N 2.7Å; S288-N291 PolarHBondContact O-ND2 2.98Å
289S97.4Very high95.7Very high0 Ų054.7 Ų54.70%029%0.289CS..SBendtrans-88.51.4167.267.70000113.2R115 E130 Q131 N291 N294R115-S289 WeakPolarHBondContact O-CA 3.26Å; R115-S289 WeakPolarHBondContact O-CB 3.22Å; E130-S289 WeakPolarHBondContact OE2-CA 3.26Å; E130-S289 VanDerWaalsContact OE2-CB 3.28Å; E130-S289 WeakPolarHBondContact OE2-CB 3.28Å; E130-S289 PolarHBondContact OE2-N 2.93Å; E130-S289 PolarHBondContact OE2-OG 3Å; Q131-S289 WeakPolarHBondContact CG-OG 3.38Å; Q131-S289 PolarHBondContact NE2-O 2.97Å; Q131-S289 PolarHBondContact NE2-OG 3.4Å; S289-N291 PolarHBondContact O-N 2.86Å; S289-N291 PolarHBondContact O-ND2 2.85Å; S289-N294 VanDerWaalsContact O-CB 3.23Å; S289-N294 WeakPolarHBondContact O-CB 3.33Å; S289-N294 PolarHBondContact O-ND2 3.39Å
290F98.1Very high95.7Very high20 Ų2054 Ų549%0.08829%0.287CS..  trans-84.590.5169.5-62.2-77.1000110E130 F134 F275 E278 M279 A282 S288E130-F290 HydrophobicContact CG-CD2 4.31Å; E130-F290 HydrophobicContact CG-CE2 3.57Å; E130-F290 HydrophobicContact CG-CZ 4.1Å; F134-F290 HydrophobicContact CB-CE1 4.19Å; F134-F290 HydrophobicContact CB-CZ 3.9Å; F134-F290 HydrophobicContact CD1-CE1 4.16Å; F134-F290 AromaticContact CD2-CE1 3.65Å; F134-F290 HydrophobicContact CD2-CE1 3.65Å; F134-F290 AromaticContact CD2-CZ 3.78Å; F134-F290 HydrophobicContact CD2-CZ 3.78Å; F134-F290 HydrophobicContact CE2-CE1 4.05Å; F134-F290 AromaticContact CG-CE1 3.72Å; F134-F290 HydrophobicContact CG-CE1 3.72Å; F134-F290 AromaticContact CG-CZ 3.87Å; F134-F290 HydrophobicContact CG-CZ 3.87Å; F134-F290 HydrophobicContact CZ-CE1 4.48Å; F275-F290 HydrophobicContact CD1-CD1 4Å; F275-F290 AromaticContact CD2-CD1 3.9Å; F275-F290 HydrophobicContact CD2-CD1 3.9Å; F275-F290 HydrophobicContact CD2-CE1 4.04Å; F275-F290 HydrophobicContact CE1-CB 4.22Å; F275-F290 AromaticContact CE1-CD1 3.86Å; F275-F290 HydrophobicContact CE1-CD1 3.86Å; F275-F290 AromaticContact CE2-CD1 3.77Å; F275-F290 HydrophobicContact CE2-CD1 3.77Å; F275-F290 HydrophobicContact CE2-CE1 4.1Å; F275-F290 HydrophobicContact CG-CD1 4.02Å; F275-F290 HydrophobicContact CG-CE1 4.43Å; F275-F290 HydrophobicContact CZ-CB 4.49Å; F275-F290 AromaticContact CZ-CD1 3.74Å; F275-F290 HydrophobicContact CZ-CD1 3.74Å; E278-F290 HydrophobicContact CB-CB 4.35Å; E278-F290 HydrophobicContact CB-CD1 3.58Å; E278-F290 HydrophobicContact CB-CD2 3.93Å; E278-F290 HydrophobicContact CB-CE1 3.72Å; E278-F290 HydrophobicContact CB-CE2 4.04Å; E278-F290 HydrophobicContact CB-CG 3.69Å; E278-F290 HydrophobicContact CB-CZ 3.94Å; E278-F290 HydrophobicContact CG-CD1 4.44Å; E278-F290 HydrophobicContact CG-CE1 4.08Å; E278-F290 HydrophobicContact CG-CE2 4.39Å; E278-F290 HydrophobicContact CG-CZ 4.04Å; M279-F290 HydrophobicContact CG-CB 3.83Å; A282-F290 HydrophobicContact CB-CB 4.31Å; S288-F290 VanDerWaalsContact C-N 3.31Å; S288-F290 WeakPolarHBondContact OG-CB 3.46Å; S288-F290 PolarHBondContact OG-N 2.7Å
291N96.5Very high95.6Very high32 Ų3251 Ų5117%0.17127%0.273CS..SBendtrans-144168.4177.954.267.8000110.5R115 S288 S289 E293 N294 L295R115-N291 PolarHBondContact O-ND2 3.5Å; S288-N291 PolarHBondContact O-ND2 2.98Å; S289-N291 PolarHBondContact O-N 2.86Å; S289-N291 PolarHBondContact O-ND2 2.85Å; N291-E293 PolarHBondContact O-N 3.38Å; N291-E293 PolarHBondContact OD1-N 2.95Å; N291-N294 PolarHBondContact O-N 3.3Å; N291-N294 WeakPolarHBondContact OD1-CB 3.35Å; N291-N294 PolarHBondContact OD1-N 3.25Å; N291-L295 PolarHBondContact O-N 3.27Å
292E94.3Very high95.6Very high92 Ų9244.6 Ų44.643%0.4325%0.247SC..Hα-helixtrans-58.3-45.6-177.1-71.7-62.4154.300112.3R259 M279 N294 L295R259-E292 IonicContact CZ-OE1 2.78Å; R259-E292 IonicContact CZ-OE2 2.73Å; R259-E292 IonicContact NH1-OE1 3.66Å; R259-E292 PolarHBondContact NH1-OE1 3.2Å; R259-E292 IonicContact NH1-OE2 2.7Å; R259-E292 IonicContact NH2-OE1 3.23Å; R259-E292 PolarHBondContact NH2-OE1 2.68Å; R259-E292 IonicContact NH2-OE2 2.79Å; R259-E292 PolarHBondContact NH2-OE2 2.73Å; M279-E292 HydrophobicContact CE-CG 3.85Å; M279-E292 WeakPolarHBondContact CE-OE1 3.35Å; E292-N294 VanDerWaalsContact C-N 3.27Å; E292-N294 PolarHBondContact O-N 2.92Å; E292-L295 PolarHBondContact O-N 3.42Å
293E95Very high95.4Very high101 Ų10144 Ų4447%0.47224%0.241SC..Hα-helixtrans-62.7-37.2-179.9-64.577-170.300111.4N291 R296 I297N291-E293 PolarHBondContact O-N 3.38Å; N291-E293 PolarHBondContact OD1-N 2.95Å; E293-R296 WeakPolarHBondContact O-CG 3.46Å; E293-I297 VanDerWaalsContact O-CD1 3.31Å; E293-I297 WeakPolarHBondContact O-CD1 3.45Å; E293-I297 VanDerWaalsContact O-CG1 3.26Å; E293-I297 WeakPolarHBondContact O-CG1 3.04Å
294N97.6Very high95.2Very high1 Ų138.9 Ų38.91%0.00522%0.224CC..Hα-helixtrans-82.2-29.4-179.2-154.839.9000113S116 Q117 G118 Q131 F275 S289 N291 E292 R296 I297 V298S116-N294 VanDerWaalsContact CA-OD1 3.3Å; S116-N294 WeakPolarHBondContact CA-OD1 3.48Å; Q117-N294 PolarHBondContact N-OD1 2.87Å; G118-N294 PolarHBondContact N-OD1 2.8Å; Q131-N294 WeakPolarHBondContact CG-ND2 3.25Å; Q131-N294 PolarHBondContact NE2-ND2 2.79Å; F275-N294 HydrophobicContact CZ-CB 4.31Å; S289-N294 VanDerWaalsContact O-CB 3.23Å; S289-N294 WeakPolarHBondContact O-CB 3.33Å; S289-N294 PolarHBondContact O-ND2 3.39Å; N291-N294 PolarHBondContact O-N 3.3Å; N291-N294 WeakPolarHBondContact OD1-CB 3.35Å; N291-N294 PolarHBondContact OD1-N 3.25Å; E292-N294 VanDerWaalsContact C-N 3.27Å; E292-N294 PolarHBondContact O-N 2.92Å; N294-R296 PolarHBondContact O-N 3.05Å; N294-I297 PolarHBondContact O-N 3.04Å; N294-V298 WeakPolarHBondContact O-CB 3.43Å; N294-V298 VanDerWaalsContact O-CG2 3.31Å; N294-V298 WeakPolarHBondContact O-CG2 3.25Å; N294-V298 PolarHBondContact O-N 3.15Å
295L97.2Very high95.2Very high1 Ų136.9 Ų36.91%0.00520%0.199CC..Hα-helixtrans-55.1-53.5176.4171.762.2000110.7L255 T272 F275 L276 M279 N291 E292 I297 V298 V299L255-L295 HydrophobicContact CD1-CG 4.36Å; L255-L295 HydrophobicContact CD2-CD2 4.24Å; L255-L295 HydrophobicContact CD2-CG 4.28Å; T272-L295 HydrophobicContact CG2-CD1 4.22Å; T272-L295 HydrophobicContact CG2-CD2 4.47Å; F275-L295 HydrophobicContact CB-CD1 3.82Å; F275-L295 HydrophobicContact CD1-CB 3.9Å; F275-L295 HydrophobicContact CD1-CD1 3.61Å; F275-L295 HydrophobicContact CD1-CG 4.24Å; F275-L295 HydrophobicContact CD2-CD1 4.2Å; F275-L295 HydrophobicContact CE1-CB 3.66Å; F275-L295 HydrophobicContact CE1-CD1 4.21Å; F275-L295 HydrophobicContact CE1-CG 4.49Å; F275-L295 HydrophobicContact CG-CD1 3.62Å; F275-L295 HydrophobicContact CZ-CB 4.17Å; L276-L295 HydrophobicContact CD2-CD2 3.92Å; M279-L295 HydrophobicContact SD-CB 4.34Å; M279-L295 HydrophobicContact SD-CD2 4.41Å; N291-L295 PolarHBondContact O-N 3.27Å; E292-L295 PolarHBondContact O-N 3.42Å; L295-I297 VanDerWaalsContact C-N 3.29Å; L295-I297 PolarHBondContact O-N 3.28Å; L295-V298 PolarHBondContact O-N 3.38Å; L295-V299 HydrophobicContact CD1-CG2 3.95Å; L295-V299 WeakPolarHBondContact O-CG2 3.42Å; L295-V299 PolarHBondContact O-N 2.83Å
296R95.5Very high95Very high56 Ų5633.7 Ų33.721%0.21119%0.185CC..Hα-helixtrans-60.7-37.3179.665.4-177.9-56-166.99.9112.5L248 D252 L255 E293 N294 A300L248-R296 VanDerWaalsContact C-NH2 3.35Å; L248-R296 PolarHBondContact O-NH2 3.18Å; D252-R296 VanDerWaalsContact CG-NH2 3.27Å; D252-R296 IonicContact OD1-CZ 3.07Å; D252-R296 VanDerWaalsContact OD1-CZ 3.27Å; D252-R296 IonicContact OD1-NE 2.68Å; D252-R296 PolarHBondContact OD1-NE 2.98Å; D252-R296 IonicContact OD1-NH2 3.53Å; D252-R296 PolarHBondContact OD1-NH2 3.35Å; D252-R296 IonicContact OD2-CZ 3.94Å; D252-R296 IonicContact OD2-NE 3.85Å; D252-R296 IonicContact OD2-NH1 3.1Å; D252-R296 IonicContact OD2-NH2 3.68Å; D252-R296 PolarHBondContact OD2-NH2 3.48Å; L255-R296 HydrophobicContact CD1-CB 3.95Å; E293-R296 WeakPolarHBondContact O-CG 3.46Å; N294-R296 PolarHBondContact O-N 3.05Å; R296-A300 WeakPolarHBondContact O-CB 3.33Å; R296-A300 PolarHBondContact O-N 2.72Å
297I96.6Very high94.9Very high3 Ų328.2 Ų28.22%0.01515%0.15CC..Hα-helixtrans-71.1-43179.7-60.4167.7000110.4F112 E293 N294 L295 A300 D301F112-I297 HydrophobicContact CD2-CD1 3.78Å; F112-I297 HydrophobicContact CD2-CG1 4.48Å; F112-I297 HydrophobicContact CE1-CG2 4.36Å; F112-I297 HydrophobicContact CE2-CD1 3.87Å; F112-I297 HydrophobicContact CE2-CG1 4.14Å; F112-I297 HydrophobicContact CE2-CG2 3.81Å; F112-I297 HydrophobicContact CG-CD1 4.32Å; F112-I297 HydrophobicContact CZ-CD1 4.46Å; F112-I297 HydrophobicContact CZ-CG2 3.6Å; E293-I297 VanDerWaalsContact O-CD1 3.31Å; E293-I297 WeakPolarHBondContact O-CD1 3.45Å; E293-I297 VanDerWaalsContact O-CG1 3.26Å; E293-I297 WeakPolarHBondContact O-CG1 3.04Å; N294-I297 PolarHBondContact O-N 3.04Å; L295-I297 VanDerWaalsContact C-N 3.29Å; L295-I297 PolarHBondContact O-N 3.28Å; I297-A300 PolarHBondContact O-N 3.27Å; I297-D301 WeakPolarHBondContact O-CB 3.17Å; I297-D301 PolarHBondContact O-N 3.02Å
298V97.6Very high94.7Very high0 Ų022.5 Ų22.50%012%0.124CC..Hα-helixtrans-64.6-43.4178.8170.40000111.1V119 Q131 L271 F275 N294 L295 D301 L302V119-V298 HydrophobicContact CG2-CG2 4.45Å; Q131-V298 HydrophobicContact CG-CG2 4.25Å; L271-V298 HydrophobicContact CD2-CG1 4.34Å; F275-V298 HydrophobicContact CE2-CB 4.22Å; F275-V298 HydrophobicContact CE2-CG1 4.41Å; F275-V298 HydrophobicContact CE2-CG2 4.06Å; N294-V298 WeakPolarHBondContact O-CB 3.43Å; N294-V298 VanDerWaalsContact O-CG2 3.31Å; N294-V298 WeakPolarHBondContact O-CG2 3.25Å; N294-V298 PolarHBondContact O-N 3.15Å; L295-V298 PolarHBondContact O-N 3.38Å; V298-D301 PolarHBondContact O-N 3.43Å; V298-L302 HydrophobicContact CG1-CD1 4.39Å; V298-L302 WeakPolarHBondContact O-CG 3.24Å; V298-L302 PolarHBondContact O-N 3.05Å; V298-L302 VanDerWaalsContact O-N 3.12Å
299V95.6Very high94.7Very high0 Ų024.1 Ų24.10%013%0.133CC..Hα-helixtrans-66.6-42.3177.5175.20000110.9T190 Y191 L255 L271 L295 L302 F303T190-V299 HydrophobicContact CG2-CG1 4.44Å; Y191-V299 HydrophobicContact CE1-CG1 4.15Å; Y191-V299 HydrophobicContact CE2-CG1 4.14Å; Y191-V299 WeakPolarHBondContact OH-CG1 3.29Å; L255-V299 HydrophobicContact CD2-CG2 4.28Å; L271-V299 HydrophobicContact CD2-CG2 4.39Å; L295-V299 HydrophobicContact CD1-CG2 3.95Å; L295-V299 WeakPolarHBondContact O-CG2 3.42Å; L295-V299 PolarHBondContact O-N 2.83Å; V299-L302 PolarHBondContact O-N 3.29Å; V299-F303 WeakPolarHBondContact O-CB 3.47Å; V299-F303 PolarHBondContact O-N 2.87Å
300A94.8Very high94.7Very high8 Ų824.3 Ų24.37%0.06613%0.134CC..Hα-helixtrans-57.7-47.717300000112.7F247 L248 L251 R296 I297 L302 F303 S304F247-A300 HydrophobicContact CE1-CB 3.82Å; L248-A300 HydrophobicContact CD2-CB 3.5Å; L251-A300 HydrophobicContact CD1-CB 3.62Å; R296-A300 WeakPolarHBondContact O-CB 3.33Å; R296-A300 PolarHBondContact O-N 2.72Å; I297-A300 PolarHBondContact O-N 3.27Å; A300-L302 VanDerWaalsContact C-N 3.34Å; A300-L302 PolarHBondContact O-N 3.02Å; A300-F303 PolarHBondContact O-N 3.39Å; A300-S304 WeakPolarHBondContact O-CB 3.32Å; A300-S304 PolarHBondContact O-N 2.79Å; A300-S304 PolarHBondContact O-OG 3.05Å
301D95.3Very high94.7Very high27 Ų2723.4 Ų23.414%0.14413%0.13CC..Hα-helixtrans-56.4-47.8178.7-86.4-2.2000111.1V119 F120 I297 V298 A305V119-D301 PolarHBondContact N-OD2 2.84Å; F120-D301 HydrophobicContact CB-CB 4.39Å; F120-D301 WeakPolarHBondContact CB-OD2 3.41Å; F120-D301 PolarHBondContact N-OD2 2.77Å; I297-D301 WeakPolarHBondContact O-CB 3.17Å; I297-D301 PolarHBondContact O-N 3.02Å; V298-D301 PolarHBondContact O-N 3.43Å; D301-A305 WeakPolarHBondContact O-CB 3.33Å; D301-A305 PolarHBondContact O-N 3.42Å
302L94.7Very high94.8Very high18 Ų1822.3 Ų22.39%0.09413%0.125CC..Hα-helixtrans-68.4-42.3-179.3-66.3177.8000112T190 L271 V298 V299 A300 G306 L444T190-L302 HydrophobicContact CG2-CB 4.32Å; T190-L302 HydrophobicContact CG2-CD1 4.42Å; L271-L302 HydrophobicContact CD1-CD1 3.38Å; L271-L302 HydrophobicContact CD2-CD1 3.98Å; L271-L302 HydrophobicContact CG-CD1 4.32Å; V298-L302 HydrophobicContact CG1-CD1 4.39Å; V298-L302 WeakPolarHBondContact O-CG 3.24Å; V298-L302 PolarHBondContact O-N 3.05Å; V298-L302 VanDerWaalsContact O-N 3.12Å; V299-L302 PolarHBondContact O-N 3.29Å; A300-L302 VanDerWaalsContact C-N 3.34Å; A300-L302 PolarHBondContact O-N 3.02Å; L302-G306 PolarHBondContact O-N 2.8Å; L302-L444 HydrophobicContact CD2-CD1 3.7Å
303F91.2Very high95Very high1 Ų118.3 Ų18.30%0.00411%0.107CC..Hα-helixtrans-62.6-54.3179.3-161.2-84.1000111.5I186 A187 Y191 F202 L205 F247 V299 A300 M307I186-F303 HydrophobicContact CB-CD2 4.5Å; I186-F303 HydrophobicContact CG2-CB 4.39Å; I186-F303 HydrophobicContact CG2-CD2 4.1Å; A187-F303 HydrophobicContact CB-CE2 4.29Å; Y191-F303 HydrophobicContact CE2-CD2 4.43Å; F202-F303 HydrophobicContact CE2-CZ 4.32Å; L205-F303 HydrophobicContact CD2-CD1 4.28Å; L205-F303 HydrophobicContact CD2-CE1 3.54Å; L205-F303 HydrophobicContact CD2-CE2 3.96Å; L205-F303 HydrophobicContact CD2-CZ 3.35Å; L205-F303 HydrophobicContact CG-CE1 3.92Å; L205-F303 HydrophobicContact CG-CZ 4.21Å; F247-F303 HydrophobicContact CE2-CD1 4.2Å; F247-F303 HydrophobicContact CZ-CB 4.46Å; F247-F303 HydrophobicContact CZ-CD1 4.09Å; V299-F303 WeakPolarHBondContact O-CB 3.47Å; V299-F303 PolarHBondContact O-N 2.87Å; A300-F303 PolarHBondContact O-N 3.39Å; F303-M307 HydrophobicContact CE1-SD 4.08Å; F303-M307 WeakPolarHBondContact O-CB 3.34Å; F303-M307 PolarHBondContact O-N 3.06Å
304S90.3Very high95.2Very high37 Ų3713.7 Ų13.726%0.2599%0.085SC..Hα-helixtrans-65.7-42.4-178.6-590000112.4F247 A300 V308F247-S304 WeakPolarHBondContact CE1-OG 3.43Å; F247-S304 WeakPolarHBondContact CZ-OG 3.1Å; A300-S304 WeakPolarHBondContact O-CB 3.32Å; A300-S304 PolarHBondContact O-N 2.79Å; A300-S304 PolarHBondContact O-OG 3.05Å; S304-V308 PolarHBondContact O-N 2.74Å
305A92.8Very high95.2Very high44 Ų4413.7 Ų13.736%0.3649%0.085SC..Hα-helixtrans-70.4-41.7-179.200000112.6D301 T309D301-A305 WeakPolarHBondContact O-CB 3.33Å; D301-A305 PolarHBondContact O-N 3.42Å; A305-T309 WeakPolarHBondContact O-CG2 3.43Å; A305-T309 PolarHBondContact O-OG1 2.88Å
306G91Very high95.3Very high15 Ų1513.9 Ų13.916%0.1559%0.086CC..Hα-helixtrans-72.2-36.6-178.100000113.3V182 L302 T310V182-G306 WeakPolarHBondContact CG1-O 3.45Å; L302-G306 PolarHBondContact O-N 2.8Å; G306-T310 PolarHBondContact O-OG1 3.33Å
307M89.1Confident95.5Very high0 Ų011.3 Ų11.30%08%0.077CC..Hα-helixtrans-66.7-66.4179.6177.1-179.378.500112.4V182 S183 F206 T209 F303 T309 S311V182-M307 WeakPolarHBondContact CG1-O 3.5Å; S183-M307 WeakPolarHBondContact OG-CG 3.24Å; S183-M307 PolarHBondContact OG-SD 2.82Å; F206-M307 HydrophobicContact CD1-CE 4.24Å; F206-M307 HydrophobicContact CD1-SD 3.25Å; F206-M307 WeakPolarHBondContact CD1-SD 3.27Å; F206-M307 HydrophobicContact CE1-CG 4.21Å; F206-M307 HydrophobicContact CE1-SD 3.3Å; F206-M307 WeakPolarHBondContact CE1-SD 3.43Å; F206-M307 HydrophobicContact CG-SD 4.45Å; T209-M307 VanDerWaalsContact CB-CE 3.44Å; T209-M307 HydrophobicContact CG2-CE 3.2Å; F303-M307 HydrophobicContact CE1-SD 4.08Å; F303-M307 WeakPolarHBondContact O-CB 3.34Å; F303-M307 PolarHBondContact O-N 3.06Å; M307-T309 VanDerWaalsContact C-N 3.31Å; M307-T309 PolarHBondContact O-N 2.99Å; M307-S311 WeakPolarHBondContact O-CB 3.17Å; M307-S311 PolarHBondContact O-N 3.04Å; M307-S311 PolarHBondContact O-OG 2.94Å; M307-S311 VanDerWaalsContact O-OG 3.05Å
308V91.9Very high95.6Very high8 Ų811.2 Ų11.25%0.0488%0.076CC..Hα-helixtrans-70-31.2-163.3-169.20000111.9T209 L213 S304 S311 T312 L484T209-V308 HydrophobicContact CG2-CG2 4.3Å; L213-V308 HydrophobicContact CD2-CG1 4Å; S304-V308 PolarHBondContact O-N 2.74Å; V308-S311 PolarHBondContact O-OG 3.38Å; V308-T312 WeakPolarHBondContact O-CB 3.32Å; V308-T312 PolarHBondContact O-N 3.11Å; V308-T312 VanDerWaalsContact O-N 3.15Å; V308-T312 PolarHBondContact O-OG1 3.09Å; V308-L484 HydrophobicContact CB-CD1 3.89Å; V308-L484 HydrophobicContact CG1-CD1 3.41Å; V308-L484 VanDerWaalsContact CG1-CD1 3.41Å
309T96.4Very high95.6Very high43 Ų4311.2 Ų11.226%0.2648%0.076SC..Hα-helixtrans-73.4-48.9-176.358.80000112.4A305 M307 T313 I369 L484A305-T309 WeakPolarHBondContact O-CG2 3.43Å; A305-T309 PolarHBondContact O-OG1 2.88Å; M307-T309 VanDerWaalsContact C-N 3.31Å; M307-T309 PolarHBondContact O-N 2.99Å; T309-T313 WeakPolarHBondContact O-CB 3.3Å; T309-T313 PolarHBondContact O-N 2.69Å; T309-T313 VanDerWaalsContact O-N 3.08Å; T309-T313 PolarHBondContact O-OG1 2.72Å; T309-I369 HydrophobicContact CG2-CD1 4.34Å; T309-I369 WeakPolarHBondContact O-CD1 3.41Å; T309-L484 HydrophobicContact CG2-CD1 4.38Å; T309-L484 HydrophobicContact CG2-CD2 4.33Å
310T97.9Very high95.8Very high4 Ų411.2 Ų11.23%0.0258%0.076CC..Hα-helixtrans-69.7-43.3-179.3-53.20000111V182 G306 T312 T313 L314 E452 L453V182-T310 HydrophobicContact CG1-CG2 4.19Å; V182-T310 HydrophobicContact CG2-CG2 3.99Å; G306-T310 PolarHBondContact O-OG1 3.33Å; T310-T312 PolarHBondContact O-N 2.91Å; T310-T313 WeakPolarHBondContact O-CB 3.21Å; T310-T313 PolarHBondContact O-N 3.4Å; T310-L314 HydrophobicContact CG2-CD1 4.4Å; T310-L314 PolarHBondContact O-N 3.04Å; T310-E452 HydrophobicContact CG2-CB 3.78Å; T310-L453 HydrophobicContact CG2-CD2 4.04Å; T310-L453 HydrophobicContact CG2-CG 4.37Å
311S97.4Very high96Very high1 Ų110.8 Ų10.81%0.0077%0.073CC..Hα-helixtrans-63.8-4117971.40000112.2D179 M307 V308 T313 L314 A315D179-S311 WeakPolarHBondContact OD1-CB 3.43Å; D179-S311 PolarHBondContact OD1-OG 3.14Å; M307-S311 WeakPolarHBondContact O-CB 3.17Å; M307-S311 PolarHBondContact O-N 3.04Å; M307-S311 PolarHBondContact O-OG 2.94Å; M307-S311 VanDerWaalsContact O-OG 3.05Å; V308-S311 PolarHBondContact O-OG 3.38Å; S311-T313 VanDerWaalsContact C-N 3.32Å; S311-T313 PolarHBondContact O-N 3Å; S311-L314 PolarHBondContact O-N 3.08Å; S311-A315 WeakPolarHBondContact O-CB 3.47Å; S311-A315 PolarHBondContact O-N 2.85Å
312T98.1Very high96.2Very high8 Ų89.8 Ų9.85%0.0497%0.067CC..Hα-helixtrans-63.2-39.4174.6-62.60000111.5V308 T310 A315 W316 I369 V485 T486V308-T312 WeakPolarHBondContact O-CB 3.32Å; V308-T312 PolarHBondContact O-N 3.11Å; V308-T312 VanDerWaalsContact O-N 3.15Å; V308-T312 PolarHBondContact O-OG1 3.09Å; T310-T312 PolarHBondContact O-N 2.91Å; T312-A315 WeakPolarHBondContact O-CB 3.41Å; T312-A315 PolarHBondContact O-N 3.41Å; T312-W316 VanDerWaalsContact O-CD1 3.29Å; T312-W316 PolarHBondContact O-N 2.66Å; T312-I369 HydrophobicContact CG2-CB 4.41Å; T312-I369 HydrophobicContact CG2-CG2 3.87Å; T312-V485 WeakPolarHBondContact CG2-O 3.39Å; T312-T486 HydrophobicContact CG2-CG2 3.89Å
313T98.8Very high96.3Very high8 Ų89.1 Ų9.15%0.0496%0.064CC..Hα-helixtrans-66.2-42177-56.90000111.5T309 T310 S311 A315 W316 G317 V363 Q364 I369 L453T309-T313 WeakPolarHBondContact O-CB 3.3Å; T309-T313 PolarHBondContact O-N 2.69Å; T309-T313 VanDerWaalsContact O-N 3.08Å; T309-T313 PolarHBondContact O-OG1 2.72Å; T310-T313 WeakPolarHBondContact O-CB 3.21Å; T310-T313 PolarHBondContact O-N 3.4Å; S311-T313 VanDerWaalsContact C-N 3.32Å; S311-T313 PolarHBondContact O-N 3Å; T313-A315 VanDerWaalsContact C-N 3.31Å; T313-A315 PolarHBondContact O-N 3Å; T313-W316 WeakPolarHBondContact O-CB 3.13Å; T313-W316 PolarHBondContact O-N 2.89Å; T313-G317 PolarHBondContact O-N 3.46Å; T313-V363 HydrophobicContact CG2-CG1 4.09Å; T313-V363 WeakPolarHBondContact O-CG1 3.45Å; T313-Q364 HydrophobicContact CG2-CG 3.78Å; T313-I369 WeakPolarHBondContact OG1-CD1 3.44Å; T313-L453 HydrophobicContact CG2-CD1 3.91Å; T313-L453 HydrophobicContact CG2-CD2 3.5Å; T313-L453 HydrophobicContact CG2-CG 4.38Å
314L98.8Very high96.7Very high5 Ų511.4 Ų11.43%0.0267%0.074CC..Hα-helixtrans-63.9-37.8173.4-70.8170.7000111.7L178 V182 T310 S311 W316 G317 L318 L453 F456 F457L178-L314 HydrophobicContact CD1-CB 4.01Å; L178-L314 HydrophobicContact CD2-CB 3.97Å; L178-L314 HydrophobicContact CD2-CD1 4.2Å; L178-L314 HydrophobicContact CG-CB 4.49Å; V182-L314 HydrophobicContact CG2-CD1 3.89Å; T310-L314 HydrophobicContact CG2-CD1 4.4Å; T310-L314 PolarHBondContact O-N 3.04Å; S311-L314 PolarHBondContact O-N 3.08Å; L314-W316 VanDerWaalsContact C-N 3.34Å; L314-W316 PolarHBondContact O-N 3.06Å; L314-G317 WeakPolarHBondContact O-CA 3.08Å; L314-G317 PolarHBondContact O-N 2.81Å; L314-G317 VanDerWaalsContact O-N 3.09Å; L314-L318 PolarHBondContact O-N 3.15Å; L314-L453 HydrophobicContact CD2-CD2 3.95Å; L314-L453 HydrophobicContact CG-CD2 3.96Å; L314-F456 HydrophobicContact CD1-CB 3.82Å; L314-F456 HydrophobicContact CD1-CD2 3.91Å; L314-F456 HydrophobicContact CD1-CG 4.06Å; L314-F456 HydrophobicContact CD2-CB 3.95Å; L314-F457 HydrophobicContact CD2-CB 4.36Å
315A98.8Very high97.1Very high1 Ų112.7 Ų12.71%0.0088%0.082CC..Hα-helixtrans-64-38.5174.800000111.8L178 S311 T312 T313 L319 P487 Y490L178-A315 HydrophobicContact CD1-CB 3.91Å; S311-A315 WeakPolarHBondContact O-CB 3.47Å; S311-A315 PolarHBondContact O-N 2.85Å; T312-A315 WeakPolarHBondContact O-CB 3.41Å; T312-A315 PolarHBondContact O-N 3.41Å; T313-A315 VanDerWaalsContact C-N 3.31Å; T313-A315 PolarHBondContact O-N 3Å; A315-L319 WeakPolarHBondContact O-CB 3.46Å; A315-L319 PolarHBondContact O-N 2.94Å; A315-L319 VanDerWaalsContact O-N 3.12Å; A315-P487 HydrophobicContact CB-CG 4Å; A315-Y490 PolarHBondContact O-OH 3.33Å
316W98.9Very high97.4Very high5 Ų514.9 Ų14.92%0.0199%0.087CC..Hα-helixtrans-62.6-43.1168.2-85.6109.9000111.8T312 T313 L314 L319 L320 V363 F366 H477 V485 P487T312-W316 VanDerWaalsContact O-CD1 3.29Å; T312-W316 PolarHBondContact O-N 2.66Å; T313-W316 WeakPolarHBondContact O-CB 3.13Å; T313-W316 PolarHBondContact O-N 2.89Å; L314-W316 VanDerWaalsContact C-N 3.34Å; L314-W316 PolarHBondContact O-N 3.06Å; W316-L319 HydrophobicContact CE3-CD2 4Å; W316-L319 HydrophobicContact CZ3-CD2 3.95Å; W316-L319 PolarHBondContact O-N 3.3Å; W316-L320 HydrophobicContact CE3-CD1 4.48Å; W316-L320 WeakPolarHBondContact O-CB 3.42Å; W316-L320 WeakPolarHBondContact O-CD1 3.39Å; W316-L320 WeakPolarHBondContact O-CG 3.25Å; W316-L320 PolarHBondContact O-N 2.9Å; W316-V363 HydrophobicContact CB-CG1 4.05Å; W316-F366 HydrophobicContact CZ3-CD1 4.33Å; W316-F366 HydrophobicContact CZ3-CE1 4.05Å; W316-H477 WeakPolarHBondContact CH2-O 3.28Å; W316-H477 WeakPolarHBondContact CZ3-O 3.17Å; W316-V485 HydrophobicContact CZ2-CG1 4.14Å; W316-V485 PolarHBondContact NE1-O 3.16Å; W316-V485 VanDerWaalsContact NE1-O 3.13Å; W316-P487 HydrophobicContact CD2-CB 4.08Å; W316-P487 HydrophobicContact CD2-CG 4.5Å; W316-P487 HydrophobicContact CE3-CB 4.31Å; W316-P487 HydrophobicContact CH2-CB 4.47Å; W316-P487 HydrophobicContact CZ2-CB 4.25Å; W316-P487 HydrophobicContact CZ3-CB 4.5Å
317G98.9Very high97.8Very high1 Ų114.4 Ų14.41%0.018%0.082CC..Hα-helixtrans-56.2-52.9177.500000112.4T313 L314 L319 L320 M321T313-G317 PolarHBondContact O-N 3.46Å; L314-G317 WeakPolarHBondContact O-CA 3.08Å; L314-G317 PolarHBondContact O-N 2.81Å; L314-G317 VanDerWaalsContact O-N 3.09Å; G317-L319 PolarHBondContact O-N 2.91Å; G317-L320 PolarHBondContact O-N 3.11Å; G317-M321 VanDerWaalsContact O-CG 3.3Å; G317-M321 WeakPolarHBondContact O-CG 3.3Å; G317-M321 PolarHBondContact O-N 2.89Å
318L98.9Very high98.2Very high1 Ų114.6 Ų14.61%0.0058%0.082CC..Hα-helixtrans-64.4-39.2179.1-65-175.2000112.5F164 P174 L178 L314 L320 M321 I322 L460 F466 Y490 L492F164-L318 HydrophobicContact CE1-CD1 4.07Å; F164-L318 HydrophobicContact CZ-CD1 4.08Å; P174-L318 HydrophobicContact CB-CD1 3.88Å; P174-L318 HydrophobicContact CG-CD1 4.23Å; L178-L318 HydrophobicContact CD1-CD1 4.13Å; L178-L318 HydrophobicContact CD2-CD1 4.37Å; L314-L318 PolarHBondContact O-N 3.15Å; L318-L320 VanDerWaalsContact C-N 3.34Å; L318-L320 PolarHBondContact O-N 2.86Å; L318-M321 PolarHBondContact O-N 3.3Å; L318-I322 PolarHBondContact O-N 3.42Å; L318-I322 VanDerWaalsContact O-N 3.11Å; L318-L460 HydrophobicContact CD1-CD1 4.44Å; L318-L460 HydrophobicContact CD2-CD1 4.27Å; L318-F466 HydrophobicContact CD2-CD2 3.95Å; L318-F466 HydrophobicContact CD2-CE1 4.35Å; L318-F466 HydrophobicContact CD2-CE2 3.66Å; L318-F466 HydrophobicContact CD2-CG 4.41Å; L318-F466 HydrophobicContact CD2-CZ 3.88Å; L318-Y490 WeakPolarHBondContact CB-OH 3.45Å; L318-L492 HydrophobicContact CB-CD2 3.89Å; L318-L492 HydrophobicContact CD1-CD2 4.01Å; L318-L492 HydrophobicContact CG-CD2 4.49Å
319L98.9Very high98.6Very high0 Ų021.8 Ų21.80%011%0.109CC..Hα-helixtrans-57.9-48173174.460.8000110.8A315 W316 G317 M321 I322 L323 P475 P487 Y490A315-L319 WeakPolarHBondContact O-CB 3.46Å; A315-L319 PolarHBondContact O-N 2.94Å; A315-L319 VanDerWaalsContact O-N 3.12Å; W316-L319 HydrophobicContact CE3-CD2 4Å; W316-L319 HydrophobicContact CZ3-CD2 3.95Å; W316-L319 PolarHBondContact O-N 3.3Å; G317-L319 PolarHBondContact O-N 2.91Å; L319-M321 VanDerWaalsContact C-N 3.3Å; L319-M321 PolarHBondContact O-N 3.36Å; L319-I322 HydrophobicContact CD1-CD1 4.27Å; L319-I322 HydrophobicContact CD1-CG1 4.4Å; L319-I322 WeakPolarHBondContact O-CG1 3.46Å; L319-I322 PolarHBondContact O-N 3.02Å; L319-L323 HydrophobicContact CD1-CD1 3.8Å; L319-L323 HydrophobicContact CD1-CG 4.02Å; L319-L323 HydrophobicContact CG-CD1 3.92Å; L319-L323 HydrophobicContact CG-CG 4.44Å; L319-L323 WeakPolarHBondContact O-CB 3.48Å; L319-L323 VanDerWaalsContact O-CG 3.23Å; L319-L323 WeakPolarHBondContact O-CG 3.49Å; L319-L323 PolarHBondContact O-N 3Å; L319-P475 HydrophobicContact CD1-CB 3.72Å; L319-P475 HydrophobicContact CD1-CG 4.38Å; L319-P487 HydrophobicContact CD2-CB 3.55Å; L319-Y490 HydrophobicContact CB-CD1 4.27Å; L319-Y490 HydrophobicContact CB-CE1 3.73Å; L319-Y490 HydrophobicContact CB-CE2 4.17Å; L319-Y490 HydrophobicContact CD1-CD1 4.05Å; L319-Y490 HydrophobicContact CD1-CD2 4.13Å; L319-Y490 HydrophobicContact CD1-CE1 4.36Å; L319-Y490 HydrophobicContact CD1-CE2 4.42Å; L319-Y490 HydrophobicContact CD1-CG 3.94Å; L319-Y490 HydrophobicContact CD2-CD1 4.46Å; L319-Y490 HydrophobicContact CG-CD1 4.49Å; L319-Y490 HydrophobicContact CG-CE1 4.41Å; L319-Y490 PolarHBondContact N-OH 2.84Å
320L98.9Very high98.7Very high0 Ų025.4 Ų25.40%012%0.118CC..Hα-helixtrans-67.6-33.4-178.4-67.9164.3000111.4W316 G317 L318 L323 H324 V363 F366 F415W316-L320 HydrophobicContact CE3-CD1 4.48Å; W316-L320 WeakPolarHBondContact O-CB 3.42Å; W316-L320 WeakPolarHBondContact O-CD1 3.39Å; W316-L320 WeakPolarHBondContact O-CG 3.25Å; W316-L320 PolarHBondContact O-N 2.9Å; G317-L320 PolarHBondContact O-N 3.11Å; L318-L320 VanDerWaalsContact C-N 3.34Å; L318-L320 PolarHBondContact O-N 2.86Å; L320-L323 PolarHBondContact O-N 2.91Å; L320-H324 WeakPolarHBondContact O-CB 3.36Å; L320-H324 PolarHBondContact O-CD2 2.85Å; L320-H324 VanDerWaalsContact O-CD2 3.31Å; L320-H324 PolarHBondContact O-N 3.13Å; L320-V363 HydrophobicContact CD1-CB 4.32Å; L320-V363 HydrophobicContact CD1-CG1 4.36Å; L320-V363 HydrophobicContact CD1-CG2 3.93Å; L320-F366 HydrophobicContact CD1-CD1 4.04Å; L320-F366 HydrophobicContact CD2-CD1 3.83Å; L320-F366 HydrophobicContact CD2-CE1 3.81Å; L320-F415 HydrophobicContact CB-CD1 4.44Å; L320-F415 HydrophobicContact CB-CD2 4.35Å; L320-F415 HydrophobicContact CB-CE1 4.23Å; L320-F415 HydrophobicContact CB-CE2 4.18Å; L320-F415 HydrophobicContact CB-CG 4.48Å; L320-F415 HydrophobicContact CB-CZ 4.11Å; L320-F415 HydrophobicContact CD1-CD2 3.66Å; L320-F415 HydrophobicContact CD1-CE2 3.73Å; L320-F415 HydrophobicContact CD1-CG 4.39Å; L320-F415 HydrophobicContact CD1-CZ 4.47Å; L320-F415 HydrophobicContact CD2-CB 3.94Å; L320-F415 HydrophobicContact CD2-CD1 4.38Å; L320-F415 HydrophobicContact CD2-CD2 3.93Å; L320-F415 HydrophobicContact CD2-CG 3.83Å; L320-F415 HydrophobicContact CG-CD2 4.18Å; L320-F415 HydrophobicContact CG-CE2 4.37Å; L320-F415 HydrophobicContact CG-CG 4.45Å
321M98.9Very high98.7Very high0 Ų025.2 Ų25.20%012%0.116CC..Hα-helixtrans-67.5-35.7175.3-68-5395.400113.4G317 L318 L319 H324 V327 Q328 V359 F415 F457 L461G317-M321 VanDerWaalsContact O-CG 3.3Å; G317-M321 WeakPolarHBondContact O-CG 3.3Å; G317-M321 PolarHBondContact O-N 2.89Å; L318-M321 PolarHBondContact O-N 3.3Å; L319-M321 VanDerWaalsContact C-N 3.3Å; L319-M321 PolarHBondContact O-N 3.36Å; M321-H324 CarbonylContact O-C 3.6Å; M321-V327 HydrophobicContact CE-CB 4.43Å; M321-V327 HydrophobicContact CE-CG1 3.79Å; M321-V327 HydrophobicContact SD-CG1 4.32Å; M321-Q328 HydrophobicContact CB-CB 4.16Å; M321-Q328 HydrophobicContact CB-CG 4.19Å; M321-Q328 HydrophobicContact CG-CB 4.5Å; M321-Q328 PolarHBondContact O-NE2 3.22Å; M321-Q328 HydrophobicContact SD-CB 3.91Å; M321-Q328 HydrophobicContact SD-CG 4.39Å; M321-V359 HydrophobicContact CE-CG1 3.76Å; M321-V359 HydrophobicContact SD-CG1 4.44Å; M321-F415 HydrophobicContact CE-CE1 3.97Å; M321-F415 HydrophobicContact CE-CZ 3.8Å; M321-F457 HydrophobicContact CE-CZ 4.13Å; M321-F457 HydrophobicContact CG-CE2 3.86Å; M321-F457 HydrophobicContact CG-CZ 3.79Å; M321-F457 HydrophobicContact SD-CE2 4.4Å; M321-F457 HydrophobicContact SD-CZ 3.73Å; M321-L461 HydrophobicContact CG-CD1 4.09Å; M321-L461 HydrophobicContact CG-CD2 4.28Å; M321-L461 HydrophobicContact SD-CD1 4.08Å
322I98.8Very high98.8Very high6 Ų625.8 Ų25.83%0.03112%0.119CC..Hα-helixtrans-76.6-26.5174.165.1174.5000112.6L318 L319 F466 V468 P475 Y490 L492L318-I322 PolarHBondContact O-N 3.42Å; L318-I322 VanDerWaalsContact O-N 3.11Å; L319-I322 HydrophobicContact CD1-CD1 4.27Å; L319-I322 HydrophobicContact CD1-CG1 4.4Å; L319-I322 WeakPolarHBondContact O-CG1 3.46Å; L319-I322 PolarHBondContact O-N 3.02Å; I322-F466 HydrophobicContact CG2-CB 3.55Å; I322-V468 HydrophobicContact CB-CG2 4.14Å; I322-V468 HydrophobicContact CD1-CG2 4.14Å; I322-V468 HydrophobicContact CG1-CG2 4.23Å; I322-P475 HydrophobicContact CD1-CG 4.23Å; I322-Y490 HydrophobicContact CD1-CD2 3.7Å; I322-Y490 HydrophobicContact CD1-CE2 3.93Å; I322-L492 HydrophobicContact CD1-CB 4.24Å; I322-L492 HydrophobicContact CG2-CB 4.12Å
323L98.7Very high98.8Very high4 Ų430.3 Ų30.32%0.02114%0.14CC..Hα-helixtrans-81.7-23.6176.9-69.4-177000113.2L319 L320 R474 P475 H477L319-L323 HydrophobicContact CD1-CD1 3.8Å; L319-L323 HydrophobicContact CD1-CG 4.02Å; L319-L323 HydrophobicContact CG-CD1 3.92Å; L319-L323 HydrophobicContact CG-CG 4.44Å; L319-L323 WeakPolarHBondContact O-CB 3.48Å; L319-L323 VanDerWaalsContact O-CG 3.23Å; L319-L323 WeakPolarHBondContact O-CG 3.49Å; L319-L323 PolarHBondContact O-N 3Å; L320-L323 PolarHBondContact O-N 2.91Å; L323-R474 HydrophobicContact CD2-CG 3.56Å; L323-R474 PolarHBondContact O-NH1 2.99Å; L323-R474 VanDerWaalsContact O-NH1 3.15Å; L323-R474 PolarHBondContact O-NH2 2.82Å; L323-P475 HydrophobicContact CD2-CB 4.47Å; L323-H477 HydrophobicContact CD1-CB 3.95Å
324H98.8Very high98.8Very high48 Ų4831.2 Ų31.222%0.22214%0.143CC..  trans-129.771.1-179.5-58.9-86.4000111.7L320 M321 D326 V327 Q328 F415L320-H324 WeakPolarHBondContact O-CB 3.36Å; L320-H324 PolarHBondContact O-CD2 2.85Å; L320-H324 VanDerWaalsContact O-CD2 3.31Å; L320-H324 PolarHBondContact O-N 3.13Å; M321-H324 CarbonylContact O-C 3.6Å; H324-D326 PolarHBondContact O-N 3.33Å; H324-V327 HydrophobicContact CB-CB 4.08Å; H324-V327 HydrophobicContact CB-CG2 3.94Å; H324-V327 WeakPolarHBondContact O-CB 3.42Å; H324-V327 PolarHBondContact O-N 2.88Å; H324-Q328 PolarHBondContact O-N 3.18Å; H324-Q328 VanDerWaalsContact O-N 3.12Å; H324-F415 HydrophobicContact CB-CD1 4.28Å; H324-F415 HydrophobicContact CB-CE1 4.34Å; H324-F415 AromaticContact CD2-CD1 3.46Å; H324-F415 VanDerWaalsContact CD2-CD1 3.46Å; H324-F415 WeakPolarHBondContact CD2-CD1 3.26Å; H324-F415 AromaticContact CG-CD1 3.74Å; H324-F415 AromaticContact NE2-CD1 3.86Å
325P98.6Very high98.8Very high64 Ų6431 Ų3142%0.41614%0.142SC..Hα-helixtrans-64-21.4-175.8-22.534.7000114.6R329P325-R329 WeakPolarHBondContact O-CB 3.47Å; P325-R329 VanDerWaalsContact O-CG 3.31Å; P325-R329 WeakPolarHBondContact O-CG 3.34Å; P325-R329 PolarHBondContact O-N 2.93Å; P325-R329 PolarHBondContact O-NE 3.33Å; P325-R329 VanDerWaalsContact O-NE 3.1Å
326D98.8Very high98.8Very high90 Ų9033 Ų3348%0.48115%0.153SC..Hα-helixtrans-66-45.4170.257.9-58.8000112.1H324 R329 R330H324-D326 PolarHBondContact O-N 3.33Å; D326-R329 PolarHBondContact O-N 2.83Å; D326-R330 PolarHBondContact O-N 3.49Å; D326-R330 VanDerWaalsContact O-N 3.07Å
327V98.9Very high98.8Very high6 Ų638.3 Ų38.34%0.03618%0.182CC..Hα-helixtrans-63.2-45.5174.6176.60000110.2M321 H324 R329 R330 V331 Y355 V359 F415 P417M321-V327 HydrophobicContact CE-CB 4.43Å; M321-V327 HydrophobicContact CE-CG1 3.79Å; M321-V327 HydrophobicContact SD-CG1 4.32Å; H324-V327 HydrophobicContact CB-CB 4.08Å; H324-V327 HydrophobicContact CB-CG2 3.94Å; H324-V327 WeakPolarHBondContact O-CB 3.42Å; H324-V327 PolarHBondContact O-N 2.88Å; V327-R329 PolarHBondContact O-N 2.91Å; V327-R330 PolarHBondContact O-N 3.2Å; V327-V331 WeakPolarHBondContact O-CG2 3.26Å; V327-V331 PolarHBondContact O-N 3.39Å; V327-Y355 HydrophobicContact CG1-CE1 4.25Å; V327-V359 HydrophobicContact CG1-CG1 4.22Å; V327-V359 HydrophobicContact CG1-CG2 3.54Å; V327-F415 HydrophobicContact CB-CE1 4.32Å; V327-F415 HydrophobicContact CG1-CE1 3.98Å; V327-F415 HydrophobicContact CG1-CZ 4.37Å; V327-F415 HydrophobicContact CG2-CE1 4.15Å; V327-P417 HydrophobicContact CG1-CG 3.97Å; V327-P417 HydrophobicContact CG2-CG 4.14Å
328Q98.9Very high98.8Very high3 Ų340 Ų401%0.01419%0.192CC..Hα-helixtrans-55.9-48.7177-177.1-178.6167.400112.1M321 H324 R330 V331 Q332 L461 F466M321-Q328 HydrophobicContact CB-CB 4.16Å; M321-Q328 HydrophobicContact CB-CG 4.19Å; M321-Q328 HydrophobicContact CG-CB 4.5Å; M321-Q328 PolarHBondContact O-NE2 3.22Å; M321-Q328 HydrophobicContact SD-CB 3.91Å; M321-Q328 HydrophobicContact SD-CG 4.39Å; H324-Q328 PolarHBondContact O-N 3.18Å; H324-Q328 VanDerWaalsContact O-N 3.12Å; Q328-R330 VanDerWaalsContact C-N 3.32Å; Q328-R330 PolarHBondContact O-N 2.85Å; Q328-V331 PolarHBondContact O-N 3.12Å; Q328-Q332 WeakPolarHBondContact O-CB 3.35Å; Q328-Q332 WeakPolarHBondContact O-CG 3.24Å; Q328-Q332 PolarHBondContact O-N 3.41Å; Q328-L461 HydrophobicContact CG-CD2 3.76Å; Q328-F466 PolarHBondContact NE2-O 3.38Å
329R98.9Very high98.8Very high160 Ų16040.7 Ų40.760%0.60420%0.195SC*.Hα-helixtrans-62.9-36.8178.3-77.3178.2-67.4146.4-2.5112.7P325 D326 V327 Q332 Q333P325-R329 WeakPolarHBondContact O-CB 3.47Å; P325-R329 VanDerWaalsContact O-CG 3.31Å; P325-R329 WeakPolarHBondContact O-CG 3.34Å; P325-R329 PolarHBondContact O-N 2.93Å; P325-R329 PolarHBondContact O-NE 3.33Å; P325-R329 VanDerWaalsContact O-NE 3.1Å; D326-R329 PolarHBondContact O-N 2.83Å; V327-R329 PolarHBondContact O-N 2.91Å; R329-Q332 WeakPolarHBondContact O-CB 3.31Å; R329-Q332 PolarHBondContact O-N 3.38Å; R329-Q333 WeakPolarHBondContact O-CB 3.37Å; R329-Q333 PolarHBondContact O-N 2.98Å
330R98.8Very high98.7Very high118 Ų11841.7 Ų41.745%0.44521%0.206SC..Hα-helixtrans-71.1-34.5177.9-173.1174.6164-159.80.2112.2D326 V327 Q328 E334 Y355 E418D326-R330 PolarHBondContact O-N 3.49Å; D326-R330 VanDerWaalsContact O-N 3.07Å; V327-R330 PolarHBondContact O-N 3.2Å; Q328-R330 VanDerWaalsContact C-N 3.32Å; Q328-R330 PolarHBondContact O-N 2.85Å; R330-E334 PolarHBondContact O-N 2.83Å; R330-E334 VanDerWaalsContact O-N 3.12Å; R330-Y355 HydrophobicContact CB-CD1 4.12Å; R330-Y355 HydrophobicContact CB-CE1 3.52Å; R330-Y355 VanDerWaalsContact CD-CZ 3.41Å; R330-Y355 HydrophobicContact CG-CD1 3.65Å; R330-Y355 HydrophobicContact CG-CE1 3.42Å; R330-Y355 VanDerWaalsContact CG-CE1 3.42Å; R330-Y355 HydrophobicContact CG-CE2 4.39Å; R330-Y355 HydrophobicContact CG-CG 4.19Å; R330-E418 IonicContact NH1-OE1 2.96Å; R330-E418 PolarHBondContact NH1-OE1 3.01Å
331V98.9Very high98.6Very high0 Ų046.3 Ų46.30%023%0.227CC..Hα-helixtrans-64-47.5168.9169.80000110.8V327 Q328 Q333 E334 I335 Y355 T356 V359 F457 L461V327-V331 WeakPolarHBondContact O-CG2 3.26Å; V327-V331 PolarHBondContact O-N 3.39Å; Q328-V331 PolarHBondContact O-N 3.12Å; V331-Q333 VanDerWaalsContact C-N 3.32Å; V331-Q333 PolarHBondContact O-N 2.6Å; V331-E334 PolarHBondContact O-N 3Å; V331-I335 HydrophobicContact CG1-CD1 3.74Å; V331-I335 HydrophobicContact CG1-CG1 4.38Å; V331-I335 WeakPolarHBondContact O-CG1 3.37Å; V331-I335 PolarHBondContact O-N 2.86Å; V331-Y355 HydrophobicContact CG2-CD1 3.9Å; V331-Y355 HydrophobicContact CG2-CE1 3.84Å; V331-T356 HydrophobicContact CG1-CG2 4.08Å; V331-V359 HydrophobicContact CG2-CB 4.13Å; V331-V359 HydrophobicContact CG2-CG1 4.14Å; V331-V359 HydrophobicContact CG2-CG2 3.79Å; V331-F457 HydrophobicContact CG1-CE1 4.15Å; V331-L461 HydrophobicContact CB-CD1 4.14Å; V331-L461 HydrophobicContact CG1-CB 4.38Å; V331-L461 HydrophobicContact CG1-CD1 3.48Å; V331-L461 VanDerWaalsContact CG1-CD1 3.48Å
332Q98.9Very high98.4Very high13 Ų1352.9 Ų52.96%0.06127%0.267CS..Hα-helixtrans-58.5-41.8177.1-78.8169.2-13.600112.4Q328 R329 I335 D336 L461 F464Q328-Q332 WeakPolarHBondContact O-CB 3.35Å; Q328-Q332 WeakPolarHBondContact O-CG 3.24Å; Q328-Q332 PolarHBondContact O-N 3.41Å; R329-Q332 WeakPolarHBondContact O-CB 3.31Å; R329-Q332 PolarHBondContact O-N 3.38Å; Q332-I335 WeakPolarHBondContact O-CB 3.41Å; Q332-I335 PolarHBondContact O-N 3.42Å; Q332-D336 PolarHBondContact O-N 2.84Å; Q332-L461 HydrophobicContact CG-CB 4.41Å; Q332-L461 WeakPolarHBondContact CG-O 3.43Å; Q332-F464 PolarHBondContact NE2-O 3.39Å
333Q98.9Very high98.2Very high104 Ų10456.8 Ų56.849%0.48628%0.281SS..Hα-helixtrans-61.7-47.2175-174.763.455.200111.6R329 V331 I335 D336 D337R329-Q333 WeakPolarHBondContact O-CB 3.37Å; R329-Q333 PolarHBondContact O-N 2.98Å; V331-Q333 VanDerWaalsContact C-N 3.32Å; V331-Q333 PolarHBondContact O-N 2.6Å; Q333-I335 VanDerWaalsContact C-N 3.31Å; Q333-I335 PolarHBondContact O-N 3.28Å; Q333-D336 PolarHBondContact O-N 3.48Å; Q333-D336 VanDerWaalsContact O-N 3.17Å; Q333-D337 PolarHBondContact NE2-OD1 3.04Å; Q333-D337 PolarHBondContact NE2-OD2 3.33Å; Q333-D337 WeakPolarHBondContact O-CB 3.42Å; Q333-D337 PolarHBondContact O-N 2.85Å
334E98.9Very high98.1Very high26 Ų2662 Ų6212%0.12130%0.3CS..Hα-helixtrans-63.6-36.8177.6-169.5-176.2-122.800112.1R330 V331 D337 V338 M353 P354 Y355 T356R330-E334 PolarHBondContact O-N 2.83Å; R330-E334 VanDerWaalsContact O-N 3.12Å; V331-E334 PolarHBondContact O-N 3Å; E334-D337 PolarHBondContact O-N 3.45Å; E334-V338 HydrophobicContact CG-CG2 4.41Å; E334-V338 WeakPolarHBondContact O-CB 3.48Å; E334-V338 WeakPolarHBondContact O-CG2 3.5Å; E334-V338 PolarHBondContact O-N 2.96Å; E334-M353 VanDerWaalsContact CD-CA 3.46Å; E334-M353 HydrophobicContact CG-CB 4.33Å; E334-M353 HydrophobicContact CG-CE 4.46Å; E334-M353 HydrophobicContact CG-CG 4.25Å; E334-M353 VanDerWaalsContact OE1-C 3.31Å; E334-M353 WeakPolarHBondContact OE1-CA 3.24Å; E334-M353 WeakPolarHBondContact OE2-CB 3.4Å; E334-P354 WeakPolarHBondContact OE1-CD 3.48Å; E334-Y355 VanDerWaalsContact OE1-CB 3.28Å; E334-Y355 WeakPolarHBondContact OE1-CB 3.37Å; E334-Y355 PolarHBondContact OE1-N 3.08Å; E334-T356 WeakPolarHBondContact OE2-CB 3.11Å; E334-T356 PolarHBondContact OE2-N 2.97Å; E334-T356 PolarHBondContact OE2-OG1 3.06Å
335I98.9Very high98Very high0 Ų059.7 Ų59.70%029%0.29CS..Hα-helixtrans-60.6-48.5171.7-71.5165.1000110.5V331 Q332 Q333 D337 V338 I339 G340 M353 T458 L461 Q462V331-I335 HydrophobicContact CG1-CD1 3.74Å; V331-I335 HydrophobicContact CG1-CG1 4.38Å; V331-I335 WeakPolarHBondContact O-CG1 3.37Å; V331-I335 PolarHBondContact O-N 2.86Å; Q332-I335 WeakPolarHBondContact O-CB 3.41Å; Q332-I335 PolarHBondContact O-N 3.42Å; Q333-I335 VanDerWaalsContact C-N 3.31Å; Q333-I335 PolarHBondContact O-N 3.28Å; I335-D337 VanDerWaalsContact C-N 3.3Å; I335-D337 PolarHBondContact O-N 2.77Å; I335-V338 PolarHBondContact O-N 2.92Å; I335-I339 HydrophobicContact CG2-CB 4.49Å; I335-I339 WeakPolarHBondContact O-CA 3.37Å; I335-I339 WeakPolarHBondContact O-CB 3.37Å; I335-I339 PolarHBondContact O-N 3.25Å; I335-G340 PolarHBondContact O-N 3.02Å; I335-M353 HydrophobicContact CB-CE 4.28Å; I335-M353 HydrophobicContact CG1-CE 3.45Å; I335-M353 VanDerWaalsContact CG1-CE 3.45Å; I335-T458 HydrophobicContact CD1-CG2 4.47Å; I335-L461 HydrophobicContact CD1-CB 3.84Å; I335-Q462 HydrophobicContact CG2-CB 3.8Å; I335-Q462 HydrophobicContact CG2-CG 3.82Å
336D98.8Very high97.8Very high44 Ų4460.2 Ų60.224%0.23529%0.287CS..Hα-helixtrans-62.9-39.5-178.7-64.9-19.1000111.3Q332 Q333 G340 Q341 R497Q332-D336 PolarHBondContact O-N 2.84Å; Q333-D336 PolarHBondContact O-N 3.48Å; Q333-D336 VanDerWaalsContact O-N 3.17Å; D336-G340 WeakPolarHBondContact O-CA 3.32Å; D336-G340 PolarHBondContact O-N 2.98Å; D336-Q341 VanDerWaalsContact OD1-CG 3.29Å; D336-Q341 WeakPolarHBondContact OD1-CG 3.32Å; D336-Q341 PolarHBondContact OD1-NE2 3.21Å; D336-R497 VanDerWaalsContact CG-NH2 3.25Å; D336-R497 IonicContact OD1-CZ 3.08Å; D336-R497 IonicContact OD1-NH1 3.68Å; D336-R497 PolarHBondContact OD1-NH1 2.92Å; D336-R497 IonicContact OD1-NH2 2.75Å; D336-R497 PolarHBondContact OD1-NH2 2.61Å; D336-R497 IonicContact OD2-CZ 3.15Å; D336-R497 IonicContact OD2-NH2 2.7Å; D336-R497 PolarHBondContact OD2-NH2 3.43Å
337D98.6Very high97.6Very high117 Ų11758 Ų5863%0.62627%0.274SS*.Hα-helixtrans-71.6-36.7-178.7-65.4-21.7000113Q333 E334 I335Q333-D337 PolarHBondContact NE2-OD1 3.04Å; Q333-D337 PolarHBondContact NE2-OD2 3.33Å; Q333-D337 WeakPolarHBondContact O-CB 3.42Å; Q333-D337 PolarHBondContact O-N 2.85Å; E334-D337 PolarHBondContact O-N 3.45Å; I335-D337 VanDerWaalsContact C-N 3.3Å; I335-D337 PolarHBondContact O-N 2.77Å
338V98.6Very high97.4Very high37 Ų3760.3 Ų60.322%0.22430%0.299CS..Hα-helixtrans-96.3-38.4-174.3177.50000113E334 I335 D349 R352 M353E334-V338 HydrophobicContact CG-CG2 4.41Å; E334-V338 WeakPolarHBondContact O-CB 3.48Å; E334-V338 WeakPolarHBondContact O-CG2 3.5Å; E334-V338 PolarHBondContact O-N 2.96Å; I335-V338 PolarHBondContact O-N 2.92Å; V338-D349 HydrophobicContact CG1-CB 4.48Å; V338-R352 HydrophobicContact CG1-CB 3.93Å; V338-M353 HydrophobicContact CB-CG 4.05Å; V338-M353 HydrophobicContact CB-SD 4.48Å; V338-M353 HydrophobicContact CG1-CG 3.91Å; V338-M353 HydrophobicContact CG1-SD 4.33Å; V338-M353 HydrophobicContact CG2-CG 4.04Å
339I98.4Very high97.3Very high15 Ų1560.3 Ų60.38%0.07730%0.3CS..THydrogen-bonded Turntrans-112.4-39.1-171.9-53.5176.2000110.7I335 R343 P345 D349 M353I335-I339 HydrophobicContact CG2-CB 4.49Å; I335-I339 WeakPolarHBondContact O-CA 3.37Å; I335-I339 WeakPolarHBondContact O-CB 3.37Å; I335-I339 PolarHBondContact O-N 3.25Å; I339-R343 HydrophobicContact CG2-CB 4.5Å; I339-R343 WeakPolarHBondContact CG2-O 3.45Å; I339-P345 HydrophobicContact CD1-CB 3.93Å; I339-P345 HydrophobicContact CD1-CG 4.11Å; I339-D349 HydrophobicContact CD1-CB 4Å; I339-D349 HydrophobicContact CG1-CB 4.08Å; I339-M353 HydrophobicContact CD1-CE 4.14Å; I339-M353 HydrophobicContact CD1-SD 3.59Å; I339-M353 VanDerWaalsContact CD1-SD 3.59Å; I339-M353 HydrophobicContact CG1-SD 4.09Å
340G97.8Very high97.3Very high21 Ų2154.8 Ų54.822%0.21628%0.281CS..THydrogen-bonded Turntrans78.4-171.6-165.400000111.9I335 D336 Q462I335-G340 PolarHBondContact O-N 3.02Å; D336-G340 WeakPolarHBondContact O-CA 3.32Å; D336-G340 PolarHBondContact O-N 2.98Å; G340-Q462 PolarHBondContact O-NE2 3.42Å
341Q95.4Very high97.2Very high97 Ų9753.8 Ų53.845%0.45330%0.298SS..THydrogen-bonded Turntrans-100.9-1.7-176.4-64.4-177.8-4.100114.3D336D336-Q341 VanDerWaalsContact OD1-CG 3.29Å; D336-Q341 WeakPolarHBondContact OD1-CG 3.32Å; D336-Q341 PolarHBondContact OD1-NE2 3.21Å
342V94.5Very high97.1Very high138 Ų13860.6 Ų60.684%0.83632%0.323SS*.THydrogen-bonded Turntrans-105.2-53.7-173.7-177.30000112.1
343R95.7Very high97.1Very high87 Ų8760 Ų6033%0.32832%0.32SS..SBendtrans-69.3139.9-179.8-174.318062.187.4-1.1109.5I339 E346 D349 Q462I339-R343 HydrophobicContact CG2-CB 4.5Å; I339-R343 WeakPolarHBondContact CG2-O 3.45Å; R343-E346 IonicContact NH1-OE1 3.76Å; R343-E346 PolarHBondContact NH1-OE1 3.06Å; R343-D349 IonicContact CZ-OD1 3.22Å; R343-D349 IonicContact CZ-OD2 2.83Å; R343-D349 IonicContact NH1-OD1 2.91Å; R343-D349 IonicContact NH1-OD2 3Å; R343-D349 PolarHBondContact NH1-OD2 3.36Å; R343-D349 IonicContact NH2-OD1 2.83Å; R343-D349 PolarHBondContact NH2-OD1 2.99Å; R343-D349 IonicContact NH2-OD2 2.96Å; R343-D349 PolarHBondContact NH2-OD2 2.89Å; R343-Q462 PolarHBondContact O-NE2 3.42Å
344R95.2Very high97.1Very high113 Ų11357 Ų5743%0.42631%0.31SS..PPolyproline II helixtrans-68.7141.8174.3-61.2-172.3-174.5-180-0.6110.2T154T154-R344 HydrophobicContact CG2-CB 3.81Å; T154-R344 HydrophobicContact CG2-CG 4.31Å
345P96.8Very high97.1Very high0 Ų056.2 Ų56.20%031%0.306CS..PPolyproline II helixtrans-55.1140.9170.6-26.334.8000112.3I339 L455 T458 C459I339-P345 HydrophobicContact CD1-CB 3.93Å; I339-P345 HydrophobicContact CD1-CG 4.11Å; P345-L455 HydrophobicContact CB-CD2 4.42Å; P345-T458 VanDerWaalsContact CB-OG1 3.24Å; P345-T458 WeakPolarHBondContact CB-OG1 3.34Å; P345-T458 WeakPolarHBondContact CG-OG1 3.21Å; P345-C459 VanDerWaalsContact CD-SG 3.58Å
346E95.6Very high97.1Very high76 Ų7656.2 Ų56.236%0.35531%0.306SS..  trans-125.6155.6175.9-71.4169.7-128.300109.5E150 R343 G348 D349 F454E150-E346 VanDerWaalsContact OE1-CA 3.3Å; E150-E346 WeakPolarHBondContact OE1-CA 3.38Å; E150-E346 WeakPolarHBondContact OE1-CB 3.49Å; R343-E346 IonicContact NH1-OE1 3.76Å; R343-E346 PolarHBondContact NH1-OE1 3.06Å; E346-G348 PolarHBondContact O-N 3.29Å; E346-D349 PolarHBondContact N-OD2 3.3Å; E346-D349 VanDerWaalsContact O-CB 3.24Å; E346-D349 WeakPolarHBondContact O-CB 3.33Å; E346-D349 PolarHBondContact O-N 2.93Å; E346-F454 WeakPolarHBondContact O-CE1 3.49Å
347M94.5Very high97.1Very high42 Ų4254.5 Ų54.521%0.20730%0.297CS..G310 helixtrans-62.6-27.1179.1-76.1-55.4-59.600113.1E150 D349 Q350 M451 F454 L455E150-M347 HydrophobicContact CG-CG 4.19Å; E150-M347 PolarHBondContact OE1-N 3.44Å; M347-D349 PolarHBondContact O-N 3.46Å; M347-Q350 VanDerWaalsContact CE-OE1 3.23Å; M347-Q350 WeakPolarHBondContact O-CB 3.25Å; M347-Q350 PolarHBondContact O-N 3.1Å; M347-M451 HydrophobicContact CE-CB 4.31Å; M347-M451 HydrophobicContact CE-CG 4.45Å; M347-M451 HydrophobicContact CG-CG 3.68Å; M347-M451 HydrophobicContact CG-SD 4.38Å; M347-M451 HydrophobicContact SD-CB 3.98Å; M347-M451 HydrophobicContact SD-CG 3.59Å; M347-M451 VanDerWaalsContact SD-CG 3.59Å; M347-F454 HydrophobicContact SD-CB 4.15Å; M347-F454 HydrophobicContact SD-CD1 3.77Å; M347-F454 HydrophobicContact SD-CG 4.31Å; M347-L455 HydrophobicContact CG-CD1 4.21Å; M347-L455 HydrophobicContact CG-CD2 4.34Å; M347-L455 HydrophobicContact CG-CG 4.35Å; M347-L455 HydrophobicContact SD-CD1 4.25Å; M347-L455 HydrophobicContact SD-CD2 4.15Å; M347-L455 HydrophobicContact SD-CG 3.89Å
348G94.8Very high97.1Very high55 Ų5548.9 Ų48.957%0.56727%0.267SS*.G310 helixtrans-61.9-21.8172.500000113.6E346E346-G348 PolarHBondContact O-N 3.29Å
349D97.4Very high97.2Very high4 Ų447.1 Ų47.12%0.02126%0.256CS..G310 helixtrans-73.8-29.2178.6-62.2-44.1000112.4V338 I339 R343 E346 M347 A351 R352 M353 F454V338-D349 HydrophobicContact CG1-CB 4.48Å; I339-D349 HydrophobicContact CD1-CB 4Å; I339-D349 HydrophobicContact CG1-CB 4.08Å; R343-D349 IonicContact CZ-OD1 3.22Å; R343-D349 IonicContact CZ-OD2 2.83Å; R343-D349 IonicContact NH1-OD1 2.91Å; R343-D349 IonicContact NH1-OD2 3Å; R343-D349 PolarHBondContact NH1-OD2 3.36Å; R343-D349 IonicContact NH2-OD1 2.83Å; R343-D349 PolarHBondContact NH2-OD1 2.99Å; R343-D349 IonicContact NH2-OD2 2.96Å; R343-D349 PolarHBondContact NH2-OD2 2.89Å; E346-D349 PolarHBondContact N-OD2 3.3Å; E346-D349 VanDerWaalsContact O-CB 3.24Å; E346-D349 WeakPolarHBondContact O-CB 3.33Å; E346-D349 PolarHBondContact O-N 2.93Å; M347-D349 PolarHBondContact O-N 3.46Å; D349-A351 PolarHBondContact O-N 3.42Å; D349-A351 VanDerWaalsContact O-N 3.13Å; D349-R352 PolarHBondContact O-N 2.95Å; D349-R352 IonicContact OD1-CZ 3.06Å; D349-R352 IonicContact OD1-NH2 2.99Å; D349-R352 PolarHBondContact OD1-NH2 3.43Å; D349-M353 HydrophobicContact CB-SD 4.04Å; D349-M353 WeakPolarHBondContact O-CG 3.18Å; D349-M353 PolarHBondContact O-N 3.35Å; D349-F454 HydrophobicContact CB-CE1 4.47Å; D349-F454 HydrophobicContact CB-CZ 4.35Å
350Q97.4Very high97.2Very high44 Ų4446.9 Ų46.921%0.20626%0.255CS..G310 helixtrans-53.8-39.1-176.5-173.7175.533.800112.9M347 R352 M353 T357 F454M347-Q350 VanDerWaalsContact CE-OE1 3.23Å; M347-Q350 WeakPolarHBondContact O-CB 3.25Å; M347-Q350 PolarHBondContact O-N 3.1Å; Q350-R352 PolarHBondContact O-N 3.49Å; Q350-R352 VanDerWaalsContact O-N 3.14Å; Q350-M353 PolarHBondContact O-N 3.32Å; Q350-M353 VanDerWaalsContact O-N 3.11Å; Q350-T357 WeakPolarHBondContact CG-OG1 3.44Å; Q350-T357 PolarHBondContact O-OG1 3.34Å; Q350-F454 HydrophobicContact CB-CD1 4.22Å; Q350-F454 HydrophobicContact CB-CD2 3.97Å; Q350-F454 HydrophobicContact CB-CE1 3.92Å; Q350-F454 HydrophobicContact CB-CE2 3.65Å; Q350-F454 HydrophobicContact CB-CG 4.24Å; Q350-F454 HydrophobicContact CB-CZ 3.63Å; Q350-F454 HydrophobicContact CG-CD2 3.74Å; Q350-F454 HydrophobicContact CG-CE2 3.72Å; Q350-F454 HydrophobicContact CG-CG 4.27Å; Q350-F454 HydrophobicContact CG-CZ 4.24Å
351A96.6Very high97.2Very high97 Ų9746.3 Ų46.380%0.80225%0.247SC*.G310 helixtrans-63.6-19.1179.700000113.7D349D349-A351 PolarHBondContact O-N 3.42Å; D349-A351 VanDerWaalsContact O-N 3.13Å
352R98.3Very high97.4Very high143 Ų14341.7 Ų41.754%0.5423%0.225SC..G310 helixtrans-106.83.7179.5-60.3-179.3-66.2173.20.7112.8V338 D349 Q350 P354V338-R352 HydrophobicContact CG1-CB 3.93Å; D349-R352 PolarHBondContact O-N 2.95Å; D349-R352 IonicContact OD1-CZ 3.06Å; D349-R352 IonicContact OD1-NH2 2.99Å; D349-R352 PolarHBondContact OD1-NH2 3.43Å; Q350-R352 PolarHBondContact O-N 3.49Å; Q350-R352 VanDerWaalsContact O-N 3.14Å; R352-P354 VanDerWaalsContact O-CD 3.29Å; R352-P354 WeakPolarHBondContact O-CD 3.37Å
353M98.8Very high97.6Very high0 Ų035.3 Ų35.30%019%0.187CC..  trans-122.164.7-176.3-65.1179.673.200110.8E334 I335 V338 I339 D349 Q350 Y355 T356 T357 F454 T458E334-M353 VanDerWaalsContact CD-CA 3.46Å; E334-M353 HydrophobicContact CG-CB 4.33Å; E334-M353 HydrophobicContact CG-CE 4.46Å; E334-M353 HydrophobicContact CG-CG 4.25Å; E334-M353 VanDerWaalsContact OE1-C 3.31Å; E334-M353 WeakPolarHBondContact OE1-CA 3.24Å; E334-M353 WeakPolarHBondContact OE2-CB 3.4Å; I335-M353 HydrophobicContact CB-CE 4.28Å; I335-M353 HydrophobicContact CG1-CE 3.45Å; I335-M353 VanDerWaalsContact CG1-CE 3.45Å; V338-M353 HydrophobicContact CB-CG 4.05Å; V338-M353 HydrophobicContact CB-SD 4.48Å; V338-M353 HydrophobicContact CG1-CG 3.91Å; V338-M353 HydrophobicContact CG1-SD 4.33Å; V338-M353 HydrophobicContact CG2-CG 4.04Å; I339-M353 HydrophobicContact CD1-CE 4.14Å; I339-M353 HydrophobicContact CD1-SD 3.59Å; I339-M353 VanDerWaalsContact CD1-SD 3.59Å; I339-M353 HydrophobicContact CG1-SD 4.09Å; D349-M353 HydrophobicContact CB-SD 4.04Å; D349-M353 WeakPolarHBondContact O-CG 3.18Å; D349-M353 PolarHBondContact O-N 3.35Å; Q350-M353 PolarHBondContact O-N 3.32Å; Q350-M353 VanDerWaalsContact O-N 3.11Å; M353-Y355 VanDerWaalsContact C-N 3.28Å; M353-Y355 PolarHBondContact O-N 3.33Å; M353-T356 HydrophobicContact CE-CG2 4.22Å; M353-T356 WeakPolarHBondContact CE-OG1 3.16Å; M353-T357 WeakPolarHBondContact O-CB 3.41Å; M353-T357 PolarHBondContact O-N 3.45Å; M353-T357 PolarHBondContact O-OG1 2.99Å; M353-F454 HydrophobicContact SD-CE2 4.3Å; M353-F454 HydrophobicContact SD-CZ 3.78Å; M353-T458 HydrophobicContact CE-CG2 4.17Å
354P98.8Very high97.8Very high40 Ų4031.7 Ų31.726%0.2617%0.173SC..Hα-helixtrans-60.9-35.7-176.825.8-35.3000112.5E334 R352 T357 A358 L421 F427E334-P354 WeakPolarHBondContact OE1-CD 3.48Å; R352-P354 VanDerWaalsContact O-CD 3.29Å; R352-P354 WeakPolarHBondContact O-CD 3.37Å; P354-T357 PolarHBondContact O-N 3.45Å; P354-A358 VanDerWaalsContact O-CB 3.32Å; P354-A358 WeakPolarHBondContact O-CB 3.48Å; P354-A358 PolarHBondContact O-N 2.75Å; P354-L421 HydrophobicContact CB-CD2 4.5Å; P354-F427 HydrophobicContact CB-CB 3.99Å
355Y98.9Very high97.9Very high10 Ų1026.3 Ų26.34%0.03915%0.153CC..Hα-helixtrans-71.4-46.2-177.7-172.9-105.6000111.9V327 R330 V331 E334 M353 T357 A358 V359 P417 L421V327-Y355 HydrophobicContact CG1-CE1 4.25Å; R330-Y355 HydrophobicContact CB-CD1 4.12Å; R330-Y355 HydrophobicContact CB-CE1 3.52Å; R330-Y355 VanDerWaalsContact CD-CZ 3.41Å; R330-Y355 HydrophobicContact CG-CD1 3.65Å; R330-Y355 HydrophobicContact CG-CE1 3.42Å; R330-Y355 VanDerWaalsContact CG-CE1 3.42Å; R330-Y355 HydrophobicContact CG-CE2 4.39Å; R330-Y355 HydrophobicContact CG-CG 4.19Å; V331-Y355 HydrophobicContact CG2-CD1 3.9Å; V331-Y355 HydrophobicContact CG2-CE1 3.84Å; E334-Y355 VanDerWaalsContact OE1-CB 3.28Å; E334-Y355 WeakPolarHBondContact OE1-CB 3.37Å; E334-Y355 PolarHBondContact OE1-N 3.08Å; M353-Y355 VanDerWaalsContact C-N 3.28Å; M353-Y355 PolarHBondContact O-N 3.33Å; Y355-T357 VanDerWaalsContact C-N 3.28Å; Y355-T357 PolarHBondContact O-N 3.11Å; Y355-A358 WeakPolarHBondContact O-CB 3.31Å; Y355-A358 PolarHBondContact O-N 3.06Å; Y355-V359 HydrophobicContact CD1-CG2 4.13Å; Y355-V359 HydrophobicContact CE1-CG2 3.75Å; Y355-V359 HydrophobicContact CE2-CG2 4.45Å; Y355-V359 WeakPolarHBondContact O-CG2 3.35Å; Y355-V359 PolarHBondContact O-N 3.32Å; Y355-P417 HydrophobicContact CE2-CB 4.06Å; Y355-L421 HydrophobicContact CD2-CD1 3.63Å; Y355-L421 HydrophobicContact CE2-CD1 4.01Å
356T98.9Very high98Very high0 Ų027.3 Ų27.30%016%0.157CC..Hα-helixtrans-62.9-39.4175.8-58.80000110.8V331 E334 M353 V359 I360 F454 F457 T458V331-T356 HydrophobicContact CG1-CG2 4.08Å; E334-T356 WeakPolarHBondContact OE2-CB 3.11Å; E334-T356 PolarHBondContact OE2-N 2.97Å; E334-T356 PolarHBondContact OE2-OG1 3.06Å; M353-T356 HydrophobicContact CE-CG2 4.22Å; M353-T356 WeakPolarHBondContact CE-OG1 3.16Å; T356-V359 PolarHBondContact O-N 3.17Å; T356-I360 HydrophobicContact CG2-CD1 4.07Å; T356-I360 WeakPolarHBondContact O-CG1 3.11Å; T356-I360 PolarHBondContact O-N 3.41Å; T356-F454 HydrophobicContact CG2-CE2 4.35Å; T356-F457 HydrophobicContact CG2-CD1 4.24Å; T356-F457 HydrophobicContact CG2-CE1 4.42Å; T356-T458 HydrophobicContact CG2-CG2 3.74Å
357T98.9Very high98.2Very high8 Ų823.8 Ų23.85%0.04914%0.142CC..Hα-helixtrans-61.7-45.5174.2-58.60000111Q350 M353 P354 Y355 I360 H361 F427Q350-T357 WeakPolarHBondContact CG-OG1 3.44Å; Q350-T357 PolarHBondContact O-OG1 3.34Å; M353-T357 WeakPolarHBondContact O-CB 3.41Å; M353-T357 PolarHBondContact O-N 3.45Å; M353-T357 PolarHBondContact O-OG1 2.99Å; P354-T357 PolarHBondContact O-N 3.45Å; Y355-T357 VanDerWaalsContact C-N 3.28Å; Y355-T357 PolarHBondContact O-N 3.11Å; T357-I360 PolarHBondContact O-N 2.92Å; T357-H361 PolarHBondContact O-N 2.82Å; T357-H361 VanDerWaalsContact O-N 3.08Å; T357-H361 PolarHBondContact O-ND1 3.49Å; T357-F427 HydrophobicContact CG2-CD1 4.1Å; T357-F427 HydrophobicContact CG2-CD2 3.7Å; T357-F427 HydrophobicContact CG2-CE1 4.1Å; T357-F427 HydrophobicContact CG2-CE2 3.69Å; T357-F427 HydrophobicContact CG2-CG 3.91Å; T357-F427 HydrophobicContact CG2-CZ 3.9Å
358A98.9Very high98.4Very high0 Ų022 Ų220%013%0.133CC..Hα-helixtrans-60.7-44175.400000112.2P354 Y355 I360 H361 E362 F420 L421 F427P354-A358 VanDerWaalsContact O-CB 3.32Å; P354-A358 WeakPolarHBondContact O-CB 3.48Å; P354-A358 PolarHBondContact O-N 2.75Å; Y355-A358 WeakPolarHBondContact O-CB 3.31Å; Y355-A358 PolarHBondContact O-N 3.06Å; A358-I360 PolarHBondContact O-N 2.82Å; A358-H361 PolarHBondContact O-N 2.82Å; A358-E362 WeakPolarHBondContact O-CB 3.37Å; A358-E362 PolarHBondContact O-N 3.21Å; A358-F420 HydrophobicContact CB-CB 3.71Å; A358-L421 HydrophobicContact CB-CD1 4.13Å; A358-L421 HydrophobicContact CB-CD2 3.73Å; A358-L421 HydrophobicContact CB-CG 3.69Å; A358-F427 HydrophobicContact CB-CD2 4.22Å
359V98.9Very high98.5Very high0 Ų020.5 Ų20.50%011%0.111CC..Hα-helixtrans-60-47.1176.7167.10000111.5M321 V327 V331 Y355 T356 H361 E362 V363 F415 P417 F457M321-V359 HydrophobicContact CE-CG1 3.76Å; M321-V359 HydrophobicContact SD-CG1 4.44Å; V327-V359 HydrophobicContact CG1-CG1 4.22Å; V327-V359 HydrophobicContact CG1-CG2 3.54Å; V331-V359 HydrophobicContact CG2-CB 4.13Å; V331-V359 HydrophobicContact CG2-CG1 4.14Å; V331-V359 HydrophobicContact CG2-CG2 3.79Å; Y355-V359 HydrophobicContact CD1-CG2 4.13Å; Y355-V359 HydrophobicContact CE1-CG2 3.75Å; Y355-V359 HydrophobicContact CE2-CG2 4.45Å; Y355-V359 WeakPolarHBondContact O-CG2 3.35Å; Y355-V359 PolarHBondContact O-N 3.32Å; T356-V359 PolarHBondContact O-N 3.17Å; V359-H361 VanDerWaalsContact C-N 3.33Å; V359-H361 PolarHBondContact O-N 2.72Å; V359-E362 PolarHBondContact O-N 3.03Å; V359-V363 HydrophobicContact CG1-CG2 4.47Å; V359-V363 VanDerWaalsContact O-CG2 3.3Å; V359-V363 WeakPolarHBondContact O-CG2 3.29Å; V359-V363 PolarHBondContact O-N 2.69Å; V359-F415 HydrophobicContact CG1-CZ 4.24Å; V359-P417 HydrophobicContact CG2-CB 3.83Å; V359-P417 HydrophobicContact CG2-CG 3.78Å; V359-F457 HydrophobicContact CG1-CE1 3.88Å; V359-F457 HydrophobicContact CG1-CZ 3.72Å
360I98.9Very high98.5Very high10 Ų1021.5 Ų21.55%0.05112%0.118CC..Hα-helixtrans-62.4-42.2178.6-69164.9000111T356 T357 A358 E362 V363 Q364 L453 F454 F457T356-I360 HydrophobicContact CG2-CD1 4.07Å; T356-I360 WeakPolarHBondContact O-CG1 3.11Å; T356-I360 PolarHBondContact O-N 3.41Å; T357-I360 PolarHBondContact O-N 2.92Å; A358-I360 PolarHBondContact O-N 2.82Å; I360-E362 VanDerWaalsContact C-N 3.33Å; I360-E362 PolarHBondContact O-N 3.47Å; I360-V363 WeakPolarHBondContact O-CB 3.26Å; I360-V363 PolarHBondContact O-N 2.74Å; I360-Q364 WeakPolarHBondContact O-CG 3.13Å; I360-Q364 PolarHBondContact O-N 3.42Å; I360-Q364 VanDerWaalsContact O-N 3.12Å; I360-L453 HydrophobicContact CG2-CB 3.94Å; I360-L453 HydrophobicContact CG2-CD1 4.32Å; I360-F454 HydrophobicContact CD1-CB 4.29Å; I360-F454 HydrophobicContact CD1-CD2 3.91Å; I360-F457 HydrophobicContact CD1-CB 4.34Å; I360-F457 HydrophobicContact CD1-CD1 3.98Å; I360-F457 HydrophobicContact CD1-CG 4.44Å; I360-F457 HydrophobicContact CG1-CB 4.46Å; I360-F457 HydrophobicContact CG1-CD1 3.74Å; I360-F457 HydrophobicContact CG1-CE1 4.13Å; I360-F457 HydrophobicContact CG1-CG 4.16Å
361H98.9Very high98.5Very high8 Ų819.5 Ų19.54%0.03711%0.109CC..Hα-helixtrans-64.6-39.7176.5-7571.3000111.4T357 A358 V359 Q364 R365 F420 F427 F433T357-H361 PolarHBondContact O-N 2.82Å; T357-H361 VanDerWaalsContact O-N 3.08Å; T357-H361 PolarHBondContact O-ND1 3.49Å; A358-H361 PolarHBondContact O-N 2.82Å; V359-H361 VanDerWaalsContact C-N 3.33Å; V359-H361 PolarHBondContact O-N 2.72Å; H361-Q364 PolarHBondContact O-N 3.15Å; H361-R365 WeakPolarHBondContact O-CB 3.26Å; H361-R365 PolarHBondContact O-N 2.79Å; H361-F420 HydrophobicContact CB-CD1 3.67Å; H361-F420 HydrophobicContact CB-CD2 3.88Å; H361-F420 HydrophobicContact CB-CE1 3.64Å; H361-F420 HydrophobicContact CB-CE2 3.87Å; H361-F420 HydrophobicContact CB-CG 3.79Å; H361-F420 HydrophobicContact CB-CZ 3.75Å; H361-F427 HydrophobicContact CB-CE2 4.32Å; H361-F427 AromaticContact CD2-CZ 3.71Å; H361-F427 AromaticContact CE1-CE2 3.89Å; H361-F427 AromaticContact CE1-CZ 3.49Å; H361-F427 VanDerWaalsContact CE1-CZ 3.49Å; H361-F427 WeakPolarHBondContact CE1-CZ 3.45Å; H361-F427 AromaticContact CG-CE2 3.78Å; H361-F427 AromaticContact CG-CZ 3.87Å; H361-F427 AromaticContact ND1-CE2 3.64Å; H361-F427 AromaticContact ND1-CZ 3.72Å; H361-F427 AromaticContact NE2-CZ 3.5Å; H361-F433 HydrophobicContact CB-CE2 4.12Å; H361-F433 HydrophobicContact CB-CZ 4.03Å; H361-F433 AromaticContact CD2-CD1 3.8Å; H361-F433 AromaticContact CD2-CE1 3.25Å; H361-F433 WeakPolarHBondContact CD2-CE1 3.45Å; H361-F433 AromaticContact CD2-CZ 3.42Å; H361-F433 VanDerWaalsContact CD2-CZ 3.42Å; H361-F433 WeakPolarHBondContact CD2-CZ 3.28Å; H361-F433 AromaticContact CG-CZ 3.95Å; H361-F433 AromaticContact NE2-CE1 3.9Å; H361-F433 VanDerWaalsContact O-CE2 3.29Å; H361-F433 WeakPolarHBondContact O-CE2 3.4Å
362E98.9Very high98.4Very high0 Ų015.8 Ų15.80%08%0.075CC..Hα-helixtrans-67.7-34.5175.7-176.864.3-173.400112.4A358 V359 I360 Q364 R365 F366 R414 F415 H416 H419 F420A358-E362 WeakPolarHBondContact O-CB 3.37Å; A358-E362 PolarHBondContact O-N 3.21Å; V359-E362 PolarHBondContact O-N 3.03Å; I360-E362 VanDerWaalsContact C-N 3.33Å; I360-E362 PolarHBondContact O-N 3.47Å; E362-Q364 VanDerWaalsContact C-N 3.33Å; E362-Q364 PolarHBondContact O-N 2.8Å; E362-R365 PolarHBondContact O-N 3.46Å; E362-R365 IonicContact OE1-CZ 3.3Å; E362-R365 IonicContact OE1-NE 3.43Å; E362-R365 PolarHBondContact OE1-NE 3.32Å; E362-R365 IonicContact OE1-NH2 3.94Å; E362-R365 PolarHBondContact OE1-NH2 2.98Å; E362-R365 WeakPolarHBondContact OE2-CD 3.48Å; E362-R365 IonicContact OE2-CZ 3.57Å; E362-R365 IonicContact OE2-NE 3.81Å; E362-R365 PolarHBondContact OE2-NE 3.07Å; E362-R365 IonicContact OE2-NH2 3.53Å; E362-F366 WeakPolarHBondContact O-CB 3.49Å; E362-F366 PolarHBondContact O-N 3.44Å; E362-R414 VanDerWaalsContact OE1-O 3.13Å; E362-F415 HydrophobicContact CB-CD2 4.4Å; E362-F415 HydrophobicContact CB-CE2 3.96Å; E362-F415 HydrophobicContact CG-CD2 3.48Å; E362-F415 VanDerWaalsContact CG-CD2 3.48Å; E362-F415 HydrophobicContact CG-CE2 3.52Å; E362-F415 HydrophobicContact CG-CG 4.32Å; E362-F415 HydrophobicContact CG-CZ 4.41Å; E362-H416 VanDerWaalsContact CD-O 3.27Å; E362-H416 PolarHBondContact OE1-N 3.2Å; E362-H419 IonicContact OE1-CE1 3.77Å; E362-H419 IonicContact OE1-ND1 3.49Å; E362-H419 PolarHBondContact OE1-ND1 3.21Å; E362-H419 IonicContact OE2-CG 3.44Å; E362-H419 IonicContact OE2-ND1 2.67Å; E362-H419 PolarHBondContact OE2-ND1 3.49Å; E362-F420 HydrophobicContact CB-CD2 4.07Å; E362-F420 HydrophobicContact CB-CE2 4.06Å; E362-F420 WeakPolarHBondContact OE2-CE2 3.19Å
363V98.9Very high98.3Very high5 Ų59.4 Ų9.43%0.035%0.054CC..Hα-helixtrans-58.8-46.5171.11680000110.3T313 W316 L320 V359 I360 G367 F415T313-V363 HydrophobicContact CG2-CG1 4.09Å; T313-V363 WeakPolarHBondContact O-CG1 3.45Å; W316-V363 HydrophobicContact CB-CG1 4.05Å; L320-V363 HydrophobicContact CD1-CB 4.32Å; L320-V363 HydrophobicContact CD1-CG1 4.36Å; L320-V363 HydrophobicContact CD1-CG2 3.93Å; V359-V363 HydrophobicContact CG1-CG2 4.47Å; V359-V363 VanDerWaalsContact O-CG2 3.3Å; V359-V363 WeakPolarHBondContact O-CG2 3.29Å; V359-V363 PolarHBondContact O-N 2.69Å; I360-V363 WeakPolarHBondContact O-CB 3.26Å; I360-V363 PolarHBondContact O-N 2.74Å; V363-G367 WeakPolarHBondContact O-CA 3.39Å; V363-G367 PolarHBondContact O-N 3.14Å; V363-F415 HydrophobicContact CG2-CE2 3.92Å; V363-F415 HydrophobicContact CG2-CZ 4.28Å
364Q98.9Very high98.2Very high11 Ų1110.8 Ų10.85%0.0516%0.062CC..Hα-helixtrans-64.8-45.1177.9-65.9-169.9-86.400112.2T313 I360 H361 E362 D368 F433 P435 L453T313-Q364 HydrophobicContact CG2-CG 3.78Å; I360-Q364 WeakPolarHBondContact O-CG 3.13Å; I360-Q364 PolarHBondContact O-N 3.42Å; I360-Q364 VanDerWaalsContact O-N 3.12Å; H361-Q364 PolarHBondContact O-N 3.15Å; E362-Q364 VanDerWaalsContact C-N 3.33Å; E362-Q364 PolarHBondContact O-N 2.8Å; Q364-D368 PolarHBondContact O-N 2.88Å; Q364-D368 VanDerWaalsContact O-N 3.07Å; Q364-F433 HydrophobicContact CB-CE2 4.03Å; Q364-F433 HydrophobicContact CB-CZ 3.97Å; Q364-P435 HydrophobicContact CB-CB 4.48Å; Q364-P435 HydrophobicContact CB-CG 4.47Å; Q364-L453 HydrophobicContact CG-CD1 4.02Å
365R98.9Very high98.1Very high0 Ų011 Ų110%06%0.063CC..Hα-helixtrans-65.1-47.6-179-171.5-149.165.779.4-3.8111.7H361 E362 L403 W409 P412 R414 H419 F420 F433H361-R365 WeakPolarHBondContact O-CB 3.26Å; H361-R365 PolarHBondContact O-N 2.79Å; E362-R365 PolarHBondContact O-N 3.46Å; E362-R365 IonicContact OE1-CZ 3.3Å; E362-R365 IonicContact OE1-NE 3.43Å; E362-R365 PolarHBondContact OE1-NE 3.32Å; E362-R365 IonicContact OE1-NH2 3.94Å; E362-R365 PolarHBondContact OE1-NH2 2.98Å; E362-R365 WeakPolarHBondContact OE2-CD 3.48Å; E362-R365 IonicContact OE2-CZ 3.57Å; E362-R365 IonicContact OE2-NE 3.81Å; E362-R365 PolarHBondContact OE2-NE 3.07Å; E362-R365 IonicContact OE2-NH2 3.53Å; R365-L403 WeakPolarHBondContact CD-O 3.21Å; R365-L403 HydrophobicContact CG-CB 4.07Å; R365-L403 HydrophobicContact CG-CD2 4.13Å; R365-L403 VanDerWaalsContact CG-O 3.24Å; R365-L403 WeakPolarHBondContact CG-O 3.45Å; R365-L403 PolarHBondContact NH1-O 3.31Å; R365-W409 VanDerWaalsContact CD-CZ3 3.42Å; R365-W409 HydrophobicContact CG-CH2 4Å; R365-W409 HydrophobicContact CG-CZ2 3.92Å; R365-W409 HydrophobicContact CG-CZ3 4.33Å; R365-P412 PolarHBondContact NH1-O 3.02Å; R365-P412 PolarHBondContact NH2-O 3.04Å; R365-P412 VanDerWaalsContact NH2-O 3.1Å; R365-R414 PolarHBondContact NH2-O 3.18Å; R365-H419 PolarHBondContact NE-ND1 3.24Å; R365-F420 HydrophobicContact CB-CE2 4.24Å; R365-F420 HydrophobicContact CB-CZ 4.16Å; R365-F433 HydrophobicContact CB-CD2 4.39Å; R365-F433 HydrophobicContact CB-CE2 4.28Å
366F98.8Very high98.1Very high21 Ų2110.8 Ų10.89%0.0926%0.062CC..Hα-helixtrans-71.5-45.6-178.8-176.7-91.1000111.8W316 L320 E362 D368 F415 H477W316-F366 HydrophobicContact CZ3-CD1 4.33Å; W316-F366 HydrophobicContact CZ3-CE1 4.05Å; L320-F366 HydrophobicContact CD1-CD1 4.04Å; L320-F366 HydrophobicContact CD2-CD1 3.83Å; L320-F366 HydrophobicContact CD2-CE1 3.81Å; E362-F366 WeakPolarHBondContact O-CB 3.49Å; E362-F366 PolarHBondContact O-N 3.44Å; F366-D368 VanDerWaalsContact C-N 3.28Å; F366-D368 PolarHBondContact O-N 3.31Å; F366-F415 HydrophobicContact CB-CD2 4.26Å; F366-F415 HydrophobicContact CD2-CB 4.17Å; F366-F415 HydrophobicContact CE2-CB 4.37Å; F366-F415 HydrophobicContact CG-CB 4.31Å; F366-F415 HydrophobicContact CG-CD2 4.44Å; F366-H477 HydrophobicContact CE1-CB 4.28Å; F366-H477 HydrophobicContact CZ-CB 4.23Å; F366-H477 AromaticContact CZ-CD2 3.87Å
367G98.3Very high98Very high2 Ų211.6 Ų11.62%0.0217%0.066CC..Hα-helixtrans-62.3-34.9179.900000112.8V363 I369V363-G367 WeakPolarHBondContact O-CA 3.39Å; V363-G367 PolarHBondContact O-N 3.14Å; G367-I369 VanDerWaalsContact C-N 3.29Å; G367-I369 PolarHBondContact O-N 2.97Å
368D98.3Very high98Very high5 Ų511.3 Ų11.33%0.0276%0.064CC..  trans48.751.5168.6-176.225.2000112.1Q364 F366 V370 P371 S400 K404Q364-D368 PolarHBondContact O-N 2.88Å; Q364-D368 VanDerWaalsContact O-N 3.07Å; F366-D368 VanDerWaalsContact C-N 3.28Å; F366-D368 PolarHBondContact O-N 3.31Å; D368-V370 PolarHBondContact O-N 3.39Å; D368-P371 WeakPolarHBondContact O-CD 3.26Å; D368-P371 WeakPolarHBondContact OD1-CA 3.36Å; D368-S400 WeakPolarHBondContact OD1-CA 3.31Å; D368-S400 WeakPolarHBondContact OD2-CB 3.47Å; D368-S400 PolarHBondContact OD2-OG 3.15Å; D368-K404 WeakPolarHBondContact OD2-CE 3.4Å; D368-K404 IonicContact OD2-NZ 2.76Å; D368-K404 PolarHBondContact OD2-NZ 2.89Å
369I97.9Very high97.9Very high22 Ų2212.8 Ų12.811%0.1138%0.075CC..SBendtrans-69.5-18.1-16462.6153.3000113.7T309 T312 T313 G367 L484 V485T309-I369 HydrophobicContact CG2-CD1 4.34Å; T309-I369 WeakPolarHBondContact O-CD1 3.41Å; T312-I369 HydrophobicContact CG2-CB 4.41Å; T312-I369 HydrophobicContact CG2-CG2 3.87Å; T313-I369 WeakPolarHBondContact OG1-CD1 3.44Å; G367-I369 VanDerWaalsContact C-N 3.29Å; G367-I369 PolarHBondContact O-N 2.97Å; I369-L484 CarbonylContact O-C 3.55Å; I369-L484 VanDerWaalsContact O-CA 3.24Å; I369-L484 WeakPolarHBondContact O-CA 3.37Å; I369-L484 WeakPolarHBondContact O-CD2 3.32Å; I369-V485 PolarHBondContact O-N 3.4Å
370V97.1Very high97.8Very high26 Ų2620.5 Ų20.516%0.15810%0.104CC..SBendtrans-128.366.4178-158.80000110D368 L372 G373 L484D368-V370 PolarHBondContact O-N 3.39Å; V370-L372 VanDerWaalsContact C-N 3.27Å; V370-L372 PolarHBondContact O-N 2.86Å; V370-L372 VanDerWaalsContact O-N 3.14Å; V370-G373 PolarHBondContact O-N 3Å; V370-L484 HydrophobicContact CB-CD2 4.45Å; V370-L484 HydrophobicContact CG1-CD2 4.49Å; V370-L484 HydrophobicContact CG2-CD2 3.62Å
371P96.8Very high97.7Very high2 Ų224.7 Ų24.71%0.01313%0.126CC..THydrogen-bonded Turntrans-62.4-31.8-164.426.3-37.3000113.7P55 D368 N398 L399 S400 F481 V485P55-P371 HydrophobicContact CB-CB 4.42Å; P55-P371 HydrophobicContact CG-CB 3.9Å; P55-P371 HydrophobicContact CG-CG 3.88Å; D368-P371 WeakPolarHBondContact O-CD 3.26Å; D368-P371 WeakPolarHBondContact OD1-CA 3.36Å; P371-N398 CarbonylContact O-C 3.51Å; P371-N398 PolarHBondContact O-OD1 3.49Å; P371-L399 PolarHBondContact O-N 2.9Å; P371-S400 PolarHBondContact O-N 3.19Å; P371-F481 HydrophobicContact CG-CD2 4.03Å; P371-F481 HydrophobicContact CG-CE2 3.76Å; P371-V485 HydrophobicContact CG-CG2 3.62Å
372L96.2Very high97.6Very high19 Ų1924.5 Ų24.510%0.09913%0.126CC..THydrogen-bonded Turntrans-102.88.9-179.8-59.5-176.5000113.5T54 F58 V370 F396 T397 F481T54-L372 HydrophobicContact CG2-CD1 3.55Å; F58-L372 HydrophobicContact CD2-CD2 3.59Å; F58-L372 HydrophobicContact CE2-CD1 4.14Å; F58-L372 HydrophobicContact CE2-CD2 3.89Å; V370-L372 VanDerWaalsContact C-N 3.27Å; V370-L372 PolarHBondContact O-N 2.86Å; V370-L372 VanDerWaalsContact O-N 3.14Å; L372-F396 HydrophobicContact CB-CD1 4.18Å; L372-F396 HydrophobicContact CD1-CD1 4.27Å; L372-F396 HydrophobicContact CD1-CE1 4.4Å; L372-T397 CarbonylContact C-O 3.55Å; L372-F481 HydrophobicContact CD1-CZ 4.22Å
373G95.3Very high97.5Very high9 Ų928.5 Ų28.59%0.09314%0.144CC..  trans56.7-152.8-173.900000112.6V370 T397V370-G373 PolarHBondContact O-N 3Å; G373-T397 PolarHBondContact N-O 2.92Å
374V96.2Very high97.3Very high29 Ų2928.2 Ų28.218%0.17614%0.143CC..  trans-113.8134.9171.2-176.80000107.5R101 F120 H376 F483R101-V374 VanDerWaalsContact CZ-CG1 3.49Å; R101-V374 PolarHBondContact NH1-O 3.44Å; F120-V374 HydrophobicContact CE1-CG1 4.34Å; F120-V374 HydrophobicContact CE2-CG1 4.38Å; F120-V374 HydrophobicContact CE2-CG2 3.77Å; F120-V374 HydrophobicContact CZ-CB 4.42Å; F120-V374 HydrophobicContact CZ-CG1 3.9Å; F120-V374 HydrophobicContact CZ-CG2 3.59Å; V374-H376 PolarHBondContact O-CD2 2.94Å; V374-F483 HydrophobicContact CG2-CZ 4.35Å
375T96.4Very high97.1Very high44 Ų4432.1 Ų32.127%0.2716%0.161SC..  trans-61.1139.6-173.852.70000113R101 T394 L395 F396R101-T375 WeakPolarHBondContact CD-O 3.21Å; R101-T375 PolarHBondContact NH1-O 3.38Å; T375-T394 HydrophobicContact CG2-CG2 4.07Å; T375-L395 WeakPolarHBondContact CA-O 3.34Å; T375-F396 HydrophobicContact CG2-CD1 4.07Å; T375-F396 HydrophobicContact CG2-CD2 3.91Å; T375-F396 HydrophobicContact CG2-CE1 3.74Å; T375-F396 HydrophobicContact CG2-CE2 3.58Å; T375-F396 HydrophobicContact CG2-CG 4.17Å; T375-F396 HydrophobicContact CG2-CZ 3.49Å; T375-F396 VanDerWaalsContact CG2-CZ 3.49Å
376H98.6Very high96.8Very high5 Ų533.9 Ų33.92%0.02318%0.179CC..EExtended strand (participates in β ladder)trans-108.8169.6173.3-72.8-117.3000110.1T98 D100 R101 V374 T394 L395T98-H376 WeakPolarHBondContact O-CB 3.22Å; T98-H376 PolarHBondContact O-ND1 3.44Å; D100-H376 CarbonylContact O-C 3.23Å; D100-H376 WeakPolarHBondContact O-CA 3.4Å; R101-H376 PolarHBondContact NH1-CD2 2.76Å; R101-H376 VanDerWaalsContact NH1-CD2 3.33Å; R101-H376 PolarHBondContact NH1-NE2 3.08Å; V374-H376 PolarHBondContact O-CD2 2.94Å; H376-T394 CarbonylContact O-C 3.59Å; H376-T394 WeakPolarHBondContact O-CA 3.49Å; H376-L395 HydrophobicContact CB-CB 4.07Å; H376-L395 HydrophobicContact CB-CD1 4.47Å; H376-L395 PolarHBondContact N-O 3.44Å; H376-L395 PolarHBondContact O-N 2.86Å
377M98.4Very high96.7Very high18 Ų1835.7 Ų35.79%0.08919%0.187CC..EExtended strand (participates in β ladder)trans-137.7139.6171.4-169.8173.465.600110.5D100 R101 P102 T393D100-M377 HydrophobicContact CB-CB 4.42Å; D100-M377 WeakPolarHBondContact CB-O 3.38Å; D100-M377 PolarHBondContact O-N 3.45Å; D100-M377 WeakPolarHBondContact OD2-CE 3.49Å; R101-M377 WeakPolarHBondContact O-CE 3.48Å; P102-M377 HydrophobicContact CG-CB 4.26Å; M377-T393 WeakPolarHBondContact CA-O 3.37Å
378T98.3Very high96.6Very high1 Ų138.3 Ų38.31%0.00620%0.2CC..  trans-72.1130.7174.655.50000111.1D97 T98 R380 I382 I389 P390 K391 G392 T393 L395D97-T378 CarbonylContact O-C 3.49Å; D97-T378 VanDerWaalsContact O-CA 3.26Å; D97-T378 WeakPolarHBondContact O-CA 3.17Å; T98-T378 HydrophobicContact CG2-CG2 4.46Å; T378-R380 WeakPolarHBondContact CB-O 3.21Å; T378-I382 HydrophobicContact CG2-CD1 3.96Å; T378-I382 HydrophobicContact CG2-CG1 4.26Å; T378-I389 HydrophobicContact CG2-CG2 3.87Å; T378-P390 PolarHBondContact OG1-O 3.34Å; T378-K391 WeakPolarHBondContact OG1-CA 3.47Å; T378-G392 PolarHBondContact O-N 2.85Å; T378-G392 PolarHBondContact OG1-N 3.14Å; T378-G392 VanDerWaalsContact OG1-N 3.08Å; T378-T393 PolarHBondContact N-O 2.9Å; T378-T393 PolarHBondContact OG1-N 2.7Å; T378-L395 HydrophobicContact CG2-CD1 3.86Å; T378-L395 HydrophobicContact CG2-CD2 4.16Å; T378-L395 HydrophobicContact CG2-CG 4.13Å
379S97.8Very high96.5Very high32 Ų3238 Ų3822%0.22420%0.199CC..SBendtrans-92.8-16.2176.374.40000112.7D97 K391D97-S379 WeakPolarHBondContact CA-OG 3.47Å; D97-S379 PolarHBondContact O-N 3.13Å; D97-S379 PolarHBondContact O-OG 2.7Å; S379-K391 VanDerWaalsContact O-CD 3.22Å; S379-K391 WeakPolarHBondContact O-CD 3.21Å; S379-K391 WeakPolarHBondContact O-CE 3.37Å; S379-K391 WeakPolarHBondContact O-CG 3.49Å
380R96.9Very high96.3Very high162 Ų16238.1 Ų38.161%0.61120%0.201SC*.SBendtrans-141.4167.3172.6-65.9-173.8175.8154.3-4.9110.5D97 T378D97-R380 HydrophobicContact CB-CB 4.43Å; D97-R380 WeakPolarHBondContact OD1-CD 3.34Å; D97-R380 IonicContact OD1-NH1 3.97Å; T378-R380 WeakPolarHBondContact CB-O 3.21Å
381D96.2Very high96.3Very high97 Ų9743.7 Ų43.752%0.51922%0.223SC..  trans-66.5134.8168.7-67.118.4000108.9L388 I389 K391D381-L388 HydrophobicContact CB-CD1 4.28Å; D381-I389 WeakPolarHBondContact CA-O 3.45Å; D381-K391 VanDerWaalsContact OD1-CB 3.32Å; D381-K391 WeakPolarHBondContact OD1-CB 3.45Å; D381-K391 PolarHBondContact OD1-N 3.35Å
382I96.5Very high96.2Very high5 Ų545.1 Ų45.13%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-130.2156178.365.2174.6000110.5Y94 D97 T98 T378 I389Y94-I382 HydrophobicContact CD1-CB 3.99Å; Y94-I382 HydrophobicContact CD1-CG2 3.77Å; Y94-I382 HydrophobicContact CE1-CB 4.25Å; Y94-I382 HydrophobicContact CE1-CG2 4.38Å; Y94-I382 HydrophobicContact CG-CB 4.18Å; Y94-I382 HydrophobicContact CG-CD1 4.41Å; Y94-I382 HydrophobicContact CG-CG2 4.12Å; D97-I382 HydrophobicContact CB-CG2 3.79Å; T98-I382 HydrophobicContact CG2-CD1 3.76Å; T378-I382 HydrophobicContact CG2-CD1 3.96Å; T378-I382 HydrophobicContact CG2-CG1 4.26Å; I382-I389 HydrophobicContact CD1-CB 4.45Å; I382-I389 HydrophobicContact CD1-CD1 4.3Å; I382-I389 HydrophobicContact CG1-CB 3.79Å; I382-I389 HydrophobicContact CG1-CD1 4.38Å; I382-I389 HydrophobicContact CG1-CG1 4.44Å; I382-I389 HydrophobicContact CG1-CG2 4.46Å; I382-I389 PolarHBondContact N-O 3.46Å; I382-I389 PolarHBondContact O-N 3.22Å
383E95.9Very high96.2Very high83 Ų8344.2 Ų44.239%0.38823%0.233SC..EExtended strand (participates in β ladder)trans-105.9123.2170-172.6168.9150.500108.8R32 Y94 F387R32-E383 IonicContact CZ-OE1 2.75Å; R32-E383 IonicContact CZ-OE2 2.8Å; R32-E383 IonicContact NH1-OE1 2.69Å; R32-E383 IonicContact NH1-OE2 3.85Å; R32-E383 PolarHBondContact NH1-OE2 3.06Å; R32-E383 IonicContact NH2-OE1 3.37Å; R32-E383 PolarHBondContact NH2-OE1 2.8Å; R32-E383 IonicContact NH2-OE2 2.84Å; R32-E383 PolarHBondContact NH2-OE2 2.96Å; Y94-E383 WeakPolarHBondContact CE2-O 3.11Å; Y94-E383 PolarHBondContact OH-O 3.46Å; Y94-E383 VanDerWaalsContact OH-O 3.08Å; E383-F387 CarbonylContact C-O 3.07Å; E383-F387 VanDerWaalsContact CA-O 3.27Å; E383-F387 WeakPolarHBondContact CA-O 3.49Å
384L95.3Very high96.3Very high0 Ų044.2 Ų44.20%023%0.231CC..EExtended strand (participates in β ladder)trans-135.1123-175.8-174.6147.9000109.4V68 L81 A86 E89 A90 G386 F387 I389V68-L384 HydrophobicContact CB-CD2 4.24Å; V68-L384 HydrophobicContact CG1-CD2 3.83Å; V68-L384 HydrophobicContact CG2-CD2 3.36Å; L81-L384 HydrophobicContact CD2-CD1 3.98Å; L81-L384 HydrophobicContact CD2-CD2 3.81Å; A86-L384 HydrophobicContact CB-CD2 4.29Å; E89-L384 HydrophobicContact CG-CG 4.4Å; A90-L384 HydrophobicContact CB-CD1 3.5Å; A90-L384 VanDerWaalsContact CB-CD1 3.5Å; L384-G386 PolarHBondContact O-N 2.84Å; L384-G386 VanDerWaalsContact O-N 3.11Å; L384-F387 PolarHBondContact N-O 3.34Å; L384-F387 WeakPolarHBondContact O-CB 3.5Å; L384-F387 PolarHBondContact O-N 2.84Å; L384-I389 HydrophobicContact CB-CD1 3.73Å; L384-I389 HydrophobicContact CB-CG1 4.44Å; L384-I389 HydrophobicContact CD1-CD1 4.21Å; L384-I389 HydrophobicContact CD2-CD1 4.39Å; L384-I389 HydrophobicContact CG-CD1 4.34Å
385Q94.4Very high96.4Very high93 Ų9342.8 Ų42.844%0.43522%0.223SC..THydrogen-bonded Turntrans48.536.7-175-59.2-67.2-52.100113.1V68 A86 E89 F387V68-Q385 HydrophobicContact CG2-CB 4.04Å; V68-Q385 HydrophobicContact CG2-CG 3.88Å; A86-Q385 HydrophobicContact CB-CG 4.29Å; E89-Q385 WeakPolarHBondContact OE2-CG 3.35Å; E89-Q385 PolarHBondContact OE2-N 3.39Å; E89-Q385 VanDerWaalsContact OE2-N 3.11Å; E89-Q385 PolarHBondContact OE2-NE2 2.87Å; Q385-F387 VanDerWaalsContact C-N 3.31Å; Q385-F387 HydrophobicContact CB-CD2 4.46Å; Q385-F387 PolarHBondContact O-N 3.48Å
386G93.4Very high96.5Very high37 Ų3742.6 Ų42.638%0.38122%0.218SC..THydrogen-bonded Turntrans80.4-0.2-178.500000115.8R32 L384R32-G386 PolarHBondContact NE-O 2.88Å; R32-G386 PolarHBondContact NH2-O 2.85Å; L384-G386 PolarHBondContact O-N 2.84Å; L384-G386 VanDerWaalsContact O-N 3.11Å
387F96.4Very high96.4Very high59 Ų5942.3 Ų42.326%0.25922%0.217SC..EExtended strand (participates in β ladder)trans-98.1143.8175-59.5-69.7000112.3R32 P34 P35 V68 E383 L384 Q385R32-F387 CarbonylContact O-C 3.28Å; R32-F387 VanDerWaalsContact O-CA 3.25Å; R32-F387 WeakPolarHBondContact O-CA 3.41Å; R32-F387 WeakPolarHBondContact O-CB 3.45Å; P34-F387 HydrophobicContact CB-CG 4.3Å; P34-F387 HydrophobicContact CG-CB 3.78Å; P34-F387 HydrophobicContact CG-CG 4.09Å; P35-F387 VanDerWaalsContact CD-CE1 3.47Å; P35-F387 HydrophobicContact CG-CE1 4.49Å; P35-F387 HydrophobicContact CG-CZ 4.26Å; V68-F387 HydrophobicContact CB-CD2 3.98Å; V68-F387 HydrophobicContact CB-CE2 4.15Å; V68-F387 HydrophobicContact CG1-CD2 4.01Å; E383-F387 CarbonylContact C-O 3.07Å; E383-F387 VanDerWaalsContact CA-O 3.27Å; E383-F387 WeakPolarHBondContact CA-O 3.49Å; L384-F387 PolarHBondContact N-O 3.34Å; L384-F387 WeakPolarHBondContact O-CB 3.5Å; L384-F387 PolarHBondContact O-N 2.84Å; Q385-F387 VanDerWaalsContact C-N 3.31Å; Q385-F387 HydrophobicContact CB-CD2 4.46Å; Q385-F387 PolarHBondContact O-N 3.48Å
388L95.6Very high96.4Very high56 Ų5641.7 Ų41.729%0.29321%0.214SC..EExtended strand (participates in β ladder)trans-85.1120.3170.8-179.867.7000109.7R32 Y33 D381R32-L388 HydrophobicContact CB-CB 4.27Å; R32-L388 PolarHBondContact O-N 3.3Å; Y33-L388 WeakPolarHBondContact CD2-O 3.36Å; D381-L388 HydrophobicContact CB-CD1 4.28Å
389I96Very high96.4Very high0 Ų041.9 Ų41.90%022%0.215CC..EExtended strand (participates in β ladder)trans-107.5108.3173-54.6178.5000108.2P34 V79 T378 D381 I382 L384 T393 L395P34-I389 HydrophobicContact CG-CG1 4.36Å; V79-I389 HydrophobicContact CG1-CD1 4.02Å; V79-I389 HydrophobicContact CG2-CG2 4.39Å; T378-I389 HydrophobicContact CG2-CG2 3.87Å; D381-I389 WeakPolarHBondContact CA-O 3.45Å; I382-I389 HydrophobicContact CD1-CB 4.45Å; I382-I389 HydrophobicContact CD1-CD1 4.3Å; I382-I389 HydrophobicContact CG1-CB 3.79Å; I382-I389 HydrophobicContact CG1-CD1 4.38Å; I382-I389 HydrophobicContact CG1-CG1 4.44Å; I382-I389 HydrophobicContact CG1-CG2 4.46Å; I382-I389 PolarHBondContact N-O 3.46Å; I382-I389 PolarHBondContact O-N 3.22Å; L384-I389 HydrophobicContact CB-CD1 3.73Å; L384-I389 HydrophobicContact CB-CG1 4.44Å; L384-I389 HydrophobicContact CD1-CD1 4.21Å; L384-I389 HydrophobicContact CD2-CD1 4.39Å; L384-I389 HydrophobicContact CG-CD1 4.34Å; I389-T393 HydrophobicContact CG2-CG2 3.84Å; I389-L395 HydrophobicContact CD1-CD2 4.4Å; I389-L395 HydrophobicContact CG2-CD2 4.12Å
390P94.9Very high96.5Very high24 Ų2441 Ų4116%0.15621%0.209CC..  trans-64.4156.5-179.6-21.834.5000112.7Y33 T378 T393Y33-P390 HydrophobicContact CD2-CG 4.27Å; Y33-P390 HydrophobicContact CE2-CG 4.21Å; T378-P390 PolarHBondContact OG1-O 3.34Å; P390-T393 VanDerWaalsContact O-CB 3.31Å; P390-T393 WeakPolarHBondContact O-CB 3.42Å; P390-T393 PolarHBondContact O-N 3.43Å; P390-T393 PolarHBondContact O-OG1 3.29Å
391K95.8Very high96.5Very high143 Ų14333.8 Ų33.862%0.62218%0.183SC*.THydrogen-bonded Turntrans-52.3141.5168175.7177179-179.20111.7T378 S379 D381 T393T378-K391 WeakPolarHBondContact OG1-CA 3.47Å; S379-K391 VanDerWaalsContact O-CD 3.22Å; S379-K391 WeakPolarHBondContact O-CD 3.21Å; S379-K391 WeakPolarHBondContact O-CE 3.37Å; S379-K391 WeakPolarHBondContact O-CG 3.49Å; D381-K391 VanDerWaalsContact OD1-CB 3.32Å; D381-K391 WeakPolarHBondContact OD1-CB 3.45Å; D381-K391 PolarHBondContact OD1-N 3.35Å; K391-T393 VanDerWaalsContact C-N 3.3Å
392G95.3Very high96.6Very high31 Ų3129.2 Ų29.232%0.3216%0.159SC..THydrogen-bonded Turntrans78.613.9178.600000113.6T378T378-G392 PolarHBondContact O-N 2.85Å; T378-G392 PolarHBondContact OG1-N 3.14Å; T378-G392 VanDerWaalsContact OG1-N 3.08Å
393T96.3Very high96.7Very high1 Ų129.1 Ų29.11%0.00616%0.158CC..  trans-83.3129.3174.9-580000109.7P77 V79 M377 T378 I389 P390 K391 L395P77-T393 HydrophobicContact CB-CG2 4.5Å; V79-T393 HydrophobicContact CB-CG2 4.13Å; V79-T393 HydrophobicContact CG2-CG2 3.68Å; M377-T393 WeakPolarHBondContact CA-O 3.37Å; T378-T393 PolarHBondContact N-O 2.9Å; T378-T393 PolarHBondContact OG1-N 2.7Å; I389-T393 HydrophobicContact CG2-CG2 3.84Å; P390-T393 VanDerWaalsContact O-CB 3.31Å; P390-T393 WeakPolarHBondContact O-CB 3.42Å; P390-T393 PolarHBondContact O-N 3.43Å; P390-T393 PolarHBondContact O-OG1 3.29Å; K391-T393 VanDerWaalsContact C-N 3.3Å; T393-L395 HydrophobicContact CG2-CD2 4.42Å
394T97.4Very high96.9Very high8 Ų827.7 Ų27.75%0.04915%0.151CC..EExtended strand (participates in β ladder)trans-74.8128.3174.1-62.80000109.4T76 P77 V78 V79 P102 T375 H376 F396T76-T394 WeakPolarHBondContact CG2-OG1 3.24Å; P77-T394 WeakPolarHBondContact O-CB 3.43Å; P77-T394 PolarHBondContact O-N 3.3Å; V78-T394 CarbonylContact C-O 3.45Å; V78-T394 VanDerWaalsContact CA-O 3.29Å; V78-T394 WeakPolarHBondContact CA-O 3.42Å; V78-T394 HydrophobicContact CG2-CG2 4.36Å; V79-T394 PolarHBondContact N-O 3.16Å; P102-T394 HydrophobicContact CG-CG2 3.86Å; T375-T394 HydrophobicContact CG2-CG2 4.07Å; H376-T394 CarbonylContact O-C 3.59Å; H376-T394 WeakPolarHBondContact O-CA 3.49Å; T394-F396 HydrophobicContact CG2-CD2 4.16Å; T394-F396 HydrophobicContact CG2-CE2 3.93Å
395L98.4Very high97Very high0 Ų028.9 Ų28.90%016%0.157CC..EExtended strand (participates in β ladder)trans-105.2124.2178-52.9178000109.7V79 L81 T98 T375 H376 T378 I389 T393V79-L395 HydrophobicContact CB-CD2 3.99Å; V79-L395 HydrophobicContact CG1-CD2 4.4Å; V79-L395 WeakPolarHBondContact O-CA 3.38Å; L81-L395 HydrophobicContact CD1-CB 4.37Å; L81-L395 HydrophobicContact CD1-CD1 4.43Å; T98-L395 HydrophobicContact CG2-CD1 3.72Å; T375-L395 WeakPolarHBondContact CA-O 3.34Å; H376-L395 HydrophobicContact CB-CB 4.07Å; H376-L395 HydrophobicContact CB-CD1 4.47Å; H376-L395 PolarHBondContact N-O 3.44Å; H376-L395 PolarHBondContact O-N 2.86Å; T378-L395 HydrophobicContact CG2-CD1 3.86Å; T378-L395 HydrophobicContact CG2-CD2 4.16Å; T378-L395 HydrophobicContact CG2-CG 4.13Å; I389-L395 HydrophobicContact CD1-CD2 4.4Å; I389-L395 HydrophobicContact CG2-CD2 4.12Å; T393-L395 HydrophobicContact CG2-CD2 4.42Å
396F97.9Very high97.1Very high39 Ų3930.7 Ų30.717%0.17117%0.165CC..EExtended strand (participates in β ladder)trans-94.2130.4165-81.6-107.5000108.5F58 V78 V79 V80 L81 L372 T375 T394F58-F396 HydrophobicContact CE2-CB 4.47Å; F58-F396 HydrophobicContact CE2-CD1 4.25Å; F58-F396 HydrophobicContact CE2-CG 4.47Å; V78-F396 HydrophobicContact CG1-CD2 3.42Å; V78-F396 VanDerWaalsContact CG1-CD2 3.42Å; V78-F396 HydrophobicContact CG1-CE2 3.81Å; V78-F396 HydrophobicContact CG1-CG 4.35Å; V78-F396 HydrophobicContact CG2-CD2 4.32Å; V78-F396 HydrophobicContact CG2-CE2 3.92Å; V79-F396 PolarHBondContact O-N 3.22Å; V80-F396 HydrophobicContact CG1-CB 4.36Å; V80-F396 HydrophobicContact CG2-CB 4.21Å; L81-F396 PolarHBondContact N-O 3.27Å; L372-F396 HydrophobicContact CB-CD1 4.18Å; L372-F396 HydrophobicContact CD1-CD1 4.27Å; L372-F396 HydrophobicContact CD1-CE1 4.4Å; T375-F396 HydrophobicContact CG2-CD1 4.07Å; T375-F396 HydrophobicContact CG2-CD2 3.91Å; T375-F396 HydrophobicContact CG2-CE1 3.74Å; T375-F396 HydrophobicContact CG2-CE2 3.58Å; T375-F396 HydrophobicContact CG2-CG 4.17Å; T375-F396 HydrophobicContact CG2-CZ 3.49Å; T375-F396 VanDerWaalsContact CG2-CZ 3.49Å; T394-F396 HydrophobicContact CG2-CD2 4.16Å; T394-F396 HydrophobicContact CG2-CE2 3.93Å
397T97.8Very high97.3Very high0 Ų033.4 Ų33.40%018%0.184CC..EExtended strand (participates in β ladder)trans-104.197.4178.651.40000107.1L81 L91 L372 G373 L399L81-T397 HydrophobicContact CD1-CG2 4.31Å; L91-T397 HydrophobicContact CD1-CG2 3.85Å; L91-T397 HydrophobicContact CD2-CG2 4.05Å; L91-T397 HydrophobicContact CG-CG2 4.19Å; L372-T397 CarbonylContact C-O 3.55Å; G373-T397 PolarHBondContact N-O 2.92Å; T397-L399 PolarHBondContact O-N 3.23Å
398N98.2Very high97.4Very high5 Ų534.1 Ų34.13%0.02719%0.193CC..EExtended strand (participates in β ladder)trans-74.279.3-177.2-171.7-7.7000109.6V80 L81 N82 P371 S400 S401V80-N398 HydrophobicContact CG1-CB 4.22Å; L81-N398 VanDerWaalsContact O-CB 3.29Å; L81-N398 WeakPolarHBondContact O-CB 3.34Å; L81-N398 PolarHBondContact O-N 2.89Å; N82-N398 WeakPolarHBondContact OD1-CB 3.45Å; N82-N398 PolarHBondContact OD1-ND2 2.88Å; P371-N398 CarbonylContact O-C 3.51Å; P371-N398 PolarHBondContact O-OD1 3.49Å; N398-S400 PolarHBondContact O-N 2.89Å; N398-S400 WeakPolarHBondContact OD1-CB 3.38Å; N398-S400 PolarHBondContact OD1-N 3.41Å; N398-S401 WeakPolarHBondContact O-CB 3.28Å; N398-S401 PolarHBondContact O-N 3.15Å; N398-S401 VanDerWaalsContact O-N 3.13Å; N398-S401 PolarHBondContact O-OG 2.9Å; N398-S401 PolarHBondContact OD1-N 3.17Å; N398-S401 VanDerWaalsContact OD1-N 3.13Å
399L98.5Very high97.5Very high4 Ų431.8 Ų31.82%0.02118%0.181CC..Hα-helixtrans-60.2-33.7179-57.8-175.9000111.2P371 T397 S401 V402 L403P371-L399 PolarHBondContact O-N 2.9Å; T397-L399 PolarHBondContact O-N 3.23Å; L399-S401 VanDerWaalsContact C-N 3.27Å; L399-S401 PolarHBondContact O-N 3.14Å; L399-V402 WeakPolarHBondContact O-CA 3.3Å; L399-V402 WeakPolarHBondContact O-CB 3.46Å; L399-V402 PolarHBondContact O-N 3.36Å; L399-L403 WeakPolarHBondContact O-CG 3.4Å; L399-L403 PolarHBondContact O-N 3.41Å
400S98.3Very high97.6Very high14 Ų1438.5 Ų38.510%0.09821%0.212CC..Hα-helixtrans-55.2-44.2174.5-167.30000111.7D368 P371 N398 V402 L403 K404D368-S400 WeakPolarHBondContact OD1-CA 3.31Å; D368-S400 WeakPolarHBondContact OD2-CB 3.47Å; D368-S400 PolarHBondContact OD2-OG 3.15Å; P371-S400 PolarHBondContact O-N 3.19Å; N398-S400 PolarHBondContact O-N 2.89Å; N398-S400 WeakPolarHBondContact OD1-CB 3.38Å; N398-S400 PolarHBondContact OD1-N 3.41Å; S400-V402 PolarHBondContact O-N 3.42Å; S400-L403 PolarHBondContact O-N 3.37Å; S400-K404 WeakPolarHBondContact O-CB 3.29Å; S400-K404 PolarHBondContact O-N 3.09Å
401S98.4Very high97.8Very high11 Ų1140.3 Ų40.38%0.07722%0.218CC..Hα-helixtrans-64.3-21.5177.876.70000114R62 N82 G83 N398 L399 D405R62-S401 PolarHBondContact NH1-O 3.3Å; N82-S401 WeakPolarHBondContact CA-OG 3.33Å; N82-S401 WeakPolarHBondContact CB-OG 3.46Å; G83-S401 PolarHBondContact N-OG 2.96Å; N398-S401 WeakPolarHBondContact O-CB 3.28Å; N398-S401 PolarHBondContact O-N 3.15Å; N398-S401 VanDerWaalsContact O-N 3.13Å; N398-S401 PolarHBondContact O-OG 2.9Å; N398-S401 PolarHBondContact OD1-N 3.17Å; N398-S401 VanDerWaalsContact OD1-N 3.13Å; L399-S401 VanDerWaalsContact C-N 3.27Å; L399-S401 PolarHBondContact O-N 3.14Å; S401-D405 WeakPolarHBondContact O-CB 3.49Å; S401-D405 PolarHBondContact O-N 3.05Å
402V98.7Very high97.9Very high1 Ų134.1 Ų34.11%0.00619%0.192CC..Hα-helixtrans-86.8-46.4174.8-168.50000110.5L84 V87 L399 S400 K404 W409 A432 L434L84-V402 HydrophobicContact CB-CG1 4.01Å; L84-V402 HydrophobicContact CD1-CG1 4.19Å; V87-V402 HydrophobicContact CG2-CG2 4.11Å; L399-V402 WeakPolarHBondContact O-CA 3.3Å; L399-V402 WeakPolarHBondContact O-CB 3.46Å; L399-V402 PolarHBondContact O-N 3.36Å; S400-V402 PolarHBondContact O-N 3.42Å; V402-K404 PolarHBondContact O-N 3.02Å; V402-W409 PolarHBondContact O-NE1 3.26Å; V402-A432 HydrophobicContact CG1-CB 3.98Å; V402-A432 WeakPolarHBondContact CG1-O 3.33Å; V402-L434 HydrophobicContact CG1-CD1 4.39Å
403L98.7Very high98Very high3 Ų338.2 Ų38.22%0.01620%0.201CC..Hα-helixtrans-71.3-17.8-178.2-65.8175.2000113.3R365 L399 S400 W409 F433 P435R365-L403 WeakPolarHBondContact CD-O 3.21Å; R365-L403 HydrophobicContact CG-CB 4.07Å; R365-L403 HydrophobicContact CG-CD2 4.13Å; R365-L403 VanDerWaalsContact CG-O 3.24Å; R365-L403 WeakPolarHBondContact CG-O 3.45Å; R365-L403 PolarHBondContact NH1-O 3.31Å; L399-L403 WeakPolarHBondContact O-CG 3.4Å; L399-L403 PolarHBondContact O-N 3.41Å; S400-L403 PolarHBondContact O-N 3.37Å; L403-W409 PolarHBondContact O-NE1 3.41Å; L403-F433 HydrophobicContact CD2-CD2 4.32Å; L403-P435 HydrophobicContact CD1-CB 4.33Å
404K98.4Very high98.1Very high53 Ų5346.3 Ų46.323%0.2323%0.232CC..THydrogen-bonded Turntrans-125.723.5-179.8-61.7172.6177157.50112.5D368 S400 V402 E406 P412 F413D368-K404 WeakPolarHBondContact OD2-CE 3.4Å; D368-K404 IonicContact OD2-NZ 2.76Å; D368-K404 PolarHBondContact OD2-NZ 2.89Å; S400-K404 WeakPolarHBondContact O-CB 3.29Å; S400-K404 PolarHBondContact O-N 3.09Å; V402-K404 PolarHBondContact O-N 3.02Å; K404-E406 PolarHBondContact O-N 3.43Å; K404-P412 HydrophobicContact CB-CB 4.22Å; K404-P412 WeakPolarHBondContact O-CB 3.48Å; K404-F413 HydrophobicContact CB-CD1 4.5Å; K404-F413 HydrophobicContact CB-CE1 3.97Å; K404-F413 HydrophobicContact CD-CD1 4.33Å; K404-F413 HydrophobicContact CD-CE1 4.24Å
405D98Very high98.2Very high24 Ų2446.7 Ų46.713%0.12823%0.233CC..  trans-66.3116.3176.8-157.1-44.6000111.5R62 S401 A407 V408 W409R62-D405 IonicContact NH1-OD2 3.53Å; R62-D405 IonicContact NH2-OD2 3.27Å; R62-D405 PolarHBondContact NH2-OD2 3.48Å; S401-D405 WeakPolarHBondContact O-CB 3.49Å; S401-D405 PolarHBondContact O-N 3.05Å; D405-A407 PolarHBondContact O-N 3.44Å; D405-A407 WeakPolarHBondContact OD1-CB 3.36Å; D405-A407 PolarHBondContact OD1-N 2.91Å; D405-V408 HydrophobicContact CB-CB 4.31Å; D405-V408 HydrophobicContact CB-CG2 4.14Å; D405-V408 PolarHBondContact O-N 3.42Å; D405-W409 VanDerWaalsContact O-CD1 3.3Å; D405-W409 PolarHBondContact O-N 3.49Å
406E97.2Very high98.2Very high131 Ų13148.1 Ų48.161%0.61224%0.239SC*.THydrogen-bonded Turntrans-63.4-20.1178.7-66.1-179.7133.900113.2K404 V408 P412 F413K404-E406 PolarHBondContact O-N 3.43Å; E406-V408 VanDerWaalsContact C-N 3.34Å; E406-P412 HydrophobicContact CB-CG 4.42Å; E406-P412 HydrophobicContact CG-CG 3.75Å; E406-F413 HydrophobicContact CG-CE2 4Å; E406-F413 HydrophobicContact CG-CZ 4.45Å; E406-F413 WeakPolarHBondContact OE1-CE2 3.36Å
407A96.8Very high98.2Very high94 Ų9446.4 Ų46.478%0.77723%0.232SC*.THydrogen-bonded Turntrans-80.5-15.1175.400000113.2D405D405-A407 PolarHBondContact O-N 3.44Å; D405-A407 WeakPolarHBondContact OD1-CB 3.36Å; D405-A407 PolarHBondContact OD1-N 2.91Å
408V97.8Very high98.3Very high75 Ų7549.8 Ų49.846%0.45525%0.247SC..THydrogen-bonded Turntrans-112.5-45.4-175.4-177.70000112.4D405 E406 A432D405-V408 HydrophobicContact CB-CB 4.31Å; D405-V408 HydrophobicContact CB-CG2 4.14Å; D405-V408 PolarHBondContact O-N 3.42Å; E406-V408 VanDerWaalsContact C-N 3.34Å; V408-A432 HydrophobicContact CB-CB 4.33Å; V408-A432 HydrophobicContact CG1-CB 3.65Å; V408-A432 HydrophobicContact CG2-CB 4.43Å
409W98.4Very high98.3Very high7 Ų750.4 Ų50.43%0.02725%0.25CS..  trans-96.8134-175-53.594.7000110R365 V402 L403 D405 K411 P412 H419 F420 P430 A432 F433R365-W409 VanDerWaalsContact CD-CZ3 3.42Å; R365-W409 HydrophobicContact CG-CH2 4Å; R365-W409 HydrophobicContact CG-CZ2 3.92Å; R365-W409 HydrophobicContact CG-CZ3 4.33Å; V402-W409 PolarHBondContact O-NE1 3.26Å; L403-W409 PolarHBondContact O-NE1 3.41Å; D405-W409 VanDerWaalsContact O-CD1 3.3Å; D405-W409 PolarHBondContact O-N 3.49Å; W409-K411 VanDerWaalsContact C-N 3.33Å; W409-K411 PolarHBondContact O-N 2.87Å; W409-P412 HydrophobicContact CB-CB 4.03Å; W409-P412 WeakPolarHBondContact O-CD 3.4Å; W409-H419 HydrophobicContact CE3-CB 3.76Å; W409-H419 AromaticContact CE3-CG 3.74Å; W409-H419 HydrophobicContact CZ3-CB 3.87Å; W409-F420 AromaticContact CH2-CE1 3.92Å; W409-F420 HydrophobicContact CH2-CE1 3.92Å; W409-F420 HydrophobicContact CH2-CE2 4.25Å; W409-F420 AromaticContact CH2-CZ 3.49Å; W409-F420 HydrophobicContact CH2-CZ 3.49Å; W409-F420 VanDerWaalsContact CH2-CZ 3.49Å; W409-F420 HydrophobicContact CZ3-CE1 4.04Å; W409-F420 AromaticContact CZ3-CE2 3.85Å; W409-F420 HydrophobicContact CZ3-CE2 3.85Å; W409-F420 AromaticContact CZ3-CZ 3.52Å; W409-F420 HydrophobicContact CZ3-CZ 3.52Å; W409-P430 HydrophobicContact CH2-CB 4.19Å; W409-P430 HydrophobicContact CH2-CG 4.14Å; W409-P430 HydrophobicContact CZ3-CB 4.42Å; W409-P430 HydrophobicContact CZ3-CG 3.95Å; W409-A432 HydrophobicContact CZ2-CB 3.9Å; W409-F433 HydrophobicContact CH2-CB 4.24Å; W409-F433 HydrophobicContact CH2-CD2 4.45Å
410E98.3Very high98.3Very high141 Ų14150.2 Ų50.266%0.65925%0.249SC*.SBendtrans-61.7-40.7-179.1-169.9-166.9146.600112.2H416 H419E410-H416 IonicContact OE2-NE2 3.72Å; E410-H419 PolarHBondContact N-NE2 3.44Å
411K98.5Very high98.3Very high62 Ų6250.6 Ų50.627%0.2725%0.25SC..SBendtrans-135.465.8-176.9-57.9-175.6-175.31000110.4W409 F413 R414 H416 H419W409-K411 VanDerWaalsContact C-N 3.33Å; W409-K411 PolarHBondContact O-N 2.87Å; K411-F413 PolarHBondContact O-N 3.28Å; K411-R414 HydrophobicContact CB-CB 4.07Å; K411-R414 PolarHBondContact O-N 2.9Å; K411-R414 VanDerWaalsContact O-O 3.13Å; K411-H416 HydrophobicContact CB-CB 4.4Å; K411-H416 PolarHBondContact NZ-CE1 2.89Å; K411-H416 PolarHBondContact NZ-NE2 3.23Å; K411-H419 PolarHBondContact N-NE2 3.31Å; K411-H419 PolarHBondContact O-CE1 3.49Å; K411-H419 VanDerWaalsContact O-CE1 3.25Å
412P97.9Very high98.3Very high12 Ų1252.4 Ų52.48%0.07826%0.259CS..THydrogen-bonded Turntrans-59.3-30.8-166.420.7-29.9000113.6R365 K404 E406 W409R365-P412 PolarHBondContact NH1-O 3.02Å; R365-P412 PolarHBondContact NH2-O 3.04Å; R365-P412 VanDerWaalsContact NH2-O 3.1Å; K404-P412 HydrophobicContact CB-CB 4.22Å; K404-P412 WeakPolarHBondContact O-CB 3.48Å; E406-P412 HydrophobicContact CB-CG 4.42Å; E406-P412 HydrophobicContact CG-CG 3.75Å; W409-P412 HydrophobicContact CB-CB 4.03Å; W409-P412 WeakPolarHBondContact O-CD 3.4Å
413F98Very high98.2Very high117 Ų11757.2 Ų57.251%0.51330%0.299SS..THydrogen-bonded Turntrans-98.912.8-179-50.6-65.2000113.9K404 E406 K411K404-F413 HydrophobicContact CB-CD1 4.5Å; K404-F413 HydrophobicContact CB-CE1 3.97Å; K404-F413 HydrophobicContact CD-CD1 4.33Å; K404-F413 HydrophobicContact CD-CE1 4.24Å; E406-F413 HydrophobicContact CG-CE2 4Å; E406-F413 HydrophobicContact CG-CZ 4.45Å; E406-F413 WeakPolarHBondContact OE1-CE2 3.36Å; K411-F413 PolarHBondContact O-N 3.28Å
414R98.4Very high98.1Very high172 Ų17263.8 Ų63.865%0.64933%0.329SS*.SBendtrans-120.2149.8172.5-63.5-173.61761631.9110E362 R365 K411 H416E362-R414 VanDerWaalsContact OE1-O 3.13Å; R365-R414 PolarHBondContact NH2-O 3.18Å; K411-R414 HydrophobicContact CB-CB 4.07Å; K411-R414 PolarHBondContact O-N 2.9Å; K411-R414 VanDerWaalsContact O-O 3.13Å; R414-H416 PolarHBondContact O-N 2.62Å
415F98.8Very high98Very high16 Ų1662.5 Ų62.57%0.0733%0.331CS..  trans-74.4110.8167.6-179.8-110000108.7L320 M321 H324 V327 V359 E362 V363 F366 P417L320-F415 HydrophobicContact CB-CD1 4.44Å; L320-F415 HydrophobicContact CB-CD2 4.35Å; L320-F415 HydrophobicContact CB-CE1 4.23Å; L320-F415 HydrophobicContact CB-CE2 4.18Å; L320-F415 HydrophobicContact CB-CG 4.48Å; L320-F415 HydrophobicContact CB-CZ 4.11Å; L320-F415 HydrophobicContact CD1-CD2 3.66Å; L320-F415 HydrophobicContact CD1-CE2 3.73Å; L320-F415 HydrophobicContact CD1-CG 4.39Å; L320-F415 HydrophobicContact CD1-CZ 4.47Å; L320-F415 HydrophobicContact CD2-CB 3.94Å; L320-F415 HydrophobicContact CD2-CD1 4.38Å; L320-F415 HydrophobicContact CD2-CD2 3.93Å; L320-F415 HydrophobicContact CD2-CG 3.83Å; L320-F415 HydrophobicContact CG-CD2 4.18Å; L320-F415 HydrophobicContact CG-CE2 4.37Å; L320-F415 HydrophobicContact CG-CG 4.45Å; M321-F415 HydrophobicContact CE-CE1 3.97Å; M321-F415 HydrophobicContact CE-CZ 3.8Å; H324-F415 HydrophobicContact CB-CD1 4.28Å; H324-F415 HydrophobicContact CB-CE1 4.34Å; H324-F415 AromaticContact CD2-CD1 3.46Å; H324-F415 VanDerWaalsContact CD2-CD1 3.46Å; H324-F415 WeakPolarHBondContact CD2-CD1 3.26Å; H324-F415 AromaticContact CG-CD1 3.74Å; H324-F415 AromaticContact NE2-CD1 3.86Å; V327-F415 HydrophobicContact CB-CE1 4.32Å; V327-F415 HydrophobicContact CG1-CE1 3.98Å; V327-F415 HydrophobicContact CG1-CZ 4.37Å; V327-F415 HydrophobicContact CG2-CE1 4.15Å; V359-F415 HydrophobicContact CG1-CZ 4.24Å; E362-F415 HydrophobicContact CB-CD2 4.4Å; E362-F415 HydrophobicContact CB-CE2 3.96Å; E362-F415 HydrophobicContact CG-CD2 3.48Å; E362-F415 VanDerWaalsContact CG-CD2 3.48Å; E362-F415 HydrophobicContact CG-CE2 3.52Å; E362-F415 HydrophobicContact CG-CG 4.32Å; E362-F415 HydrophobicContact CG-CZ 4.41Å; V363-F415 HydrophobicContact CG2-CE2 3.92Å; V363-F415 HydrophobicContact CG2-CZ 4.28Å; F366-F415 HydrophobicContact CB-CD2 4.26Å; F366-F415 HydrophobicContact CD2-CB 4.17Å; F366-F415 HydrophobicContact CE2-CB 4.37Å; F366-F415 HydrophobicContact CG-CB 4.31Å; F366-F415 HydrophobicContact CG-CD2 4.44Å; F415-P417 HydrophobicContact CE1-CG 4.15Å; F415-P417 HydrophobicContact CZ-CG 4.21Å
416H98.8Very high98Very high30 Ų3066.7 Ų66.714%0.13935%0.35CS..  trans-144.189.6-170.9-169.342.4000110.8E362 E410 K411 R414 E418 H419E362-H416 VanDerWaalsContact CD-O 3.27Å; E362-H416 PolarHBondContact OE1-N 3.2Å; E410-H416 IonicContact OE2-NE2 3.72Å; K411-H416 HydrophobicContact CB-CB 4.4Å; K411-H416 PolarHBondContact NZ-CE1 2.89Å; K411-H416 PolarHBondContact NZ-NE2 3.23Å; R414-H416 PolarHBondContact O-N 2.62Å; H416-E418 IonicContact CE1-OE2 3.76Å; H416-E418 PolarHBondContact CE1-OE2 3.27Å; H416-E418 IonicContact CG-OE2 3.26Å; H416-E418 IonicContact ND1-OE2 3.52Å; H416-E418 PolarHBondContact ND1-OE2 3.39Å; H416-E418 PolarHBondContact O-N 2.94Å; H416-H419 AromaticContact CD2-CD2 3.97Å; H416-H419 AromaticContact CD2-NE2 3.9Å; H416-H419 WeakPolarHBondContact O-CB 3.31Å; H416-H419 PolarHBondContact O-N 3.22Å; H416-H419 PolarHBondContact O-ND1 2.9Å
417P98.8Very high98.1Very high2 Ų263.5 Ų63.51%0.01333%0.334CS..G310 helixtrans-54.1-27.3-177.9-28.336.5000114.1V327 Y355 V359 F415 H419 F420V327-P417 HydrophobicContact CG1-CG 3.97Å; V327-P417 HydrophobicContact CG2-CG 4.14Å; Y355-P417 HydrophobicContact CE2-CB 4.06Å; V359-P417 HydrophobicContact CG2-CB 3.83Å; V359-P417 HydrophobicContact CG2-CG 3.78Å; F415-P417 HydrophobicContact CE1-CG 4.15Å; F415-P417 HydrophobicContact CZ-CG 4.21Å; P417-H419 PolarHBondContact O-N 2.87Å; P417-H419 VanDerWaalsContact O-N 3.09Å; P417-F420 PolarHBondContact O-N 2.92Å
418E98.6Very high98.1Very high71 Ų7161.9 Ų61.933%0.33231%0.314SS..G310 helixtrans-60-16.6177.2-66.368-150.600113.9R330 H416 F420 L421R330-E418 IonicContact NH1-OE1 2.96Å; R330-E418 PolarHBondContact NH1-OE1 3.01Å; H416-E418 IonicContact CE1-OE2 3.76Å; H416-E418 PolarHBondContact CE1-OE2 3.27Å; H416-E418 IonicContact CG-OE2 3.26Å; H416-E418 IonicContact ND1-OE2 3.52Å; H416-E418 PolarHBondContact ND1-OE2 3.39Å; H416-E418 PolarHBondContact O-N 2.94Å; E418-F420 PolarHBondContact O-N 3.41Å; E418-L421 PolarHBondContact O-N 3.02Å; E418-L421 VanDerWaalsContact O-N 3.08Å
419H98.8Very high98.2Very high18 Ų1863.4 Ų63.48%0.08332%0.315CS..G310 helixtrans-55.3-23.3168.4-73.7146.6000114.1E362 R365 W409 E410 K411 H416 P417E362-H419 IonicContact OE1-CE1 3.77Å; E362-H419 IonicContact OE1-ND1 3.49Å; E362-H419 PolarHBondContact OE1-ND1 3.21Å; E362-H419 IonicContact OE2-CG 3.44Å; E362-H419 IonicContact OE2-ND1 2.67Å; E362-H419 PolarHBondContact OE2-ND1 3.49Å; R365-H419 PolarHBondContact NE-ND1 3.24Å; W409-H419 HydrophobicContact CE3-CB 3.76Å; W409-H419 AromaticContact CE3-CG 3.74Å; W409-H419 HydrophobicContact CZ3-CB 3.87Å; E410-H419 PolarHBondContact N-NE2 3.44Å; K411-H419 PolarHBondContact N-NE2 3.31Å; K411-H419 PolarHBondContact O-CE1 3.49Å; K411-H419 VanDerWaalsContact O-CE1 3.25Å; H416-H419 AromaticContact CD2-CD2 3.97Å; H416-H419 AromaticContact CD2-NE2 3.9Å; H416-H419 WeakPolarHBondContact O-CB 3.31Å; H416-H419 PolarHBondContact O-N 3.22Å; H416-H419 PolarHBondContact O-ND1 2.9Å; P417-H419 PolarHBondContact O-N 2.87Å; P417-H419 VanDerWaalsContact O-N 3.09Å
420F98.9Very high98.1Very high0 Ų064.9 Ų64.90%033%0.325CS..G310 helixtrans-115.117.9-179-63.3-86.6000112.3A358 H361 E362 R365 W409 P417 E418 F427 V428 F433A358-F420 HydrophobicContact CB-CB 3.71Å; H361-F420 HydrophobicContact CB-CD1 3.67Å; H361-F420 HydrophobicContact CB-CD2 3.88Å; H361-F420 HydrophobicContact CB-CE1 3.64Å; H361-F420 HydrophobicContact CB-CE2 3.87Å; H361-F420 HydrophobicContact CB-CG 3.79Å; H361-F420 HydrophobicContact CB-CZ 3.75Å; E362-F420 HydrophobicContact CB-CD2 4.07Å; E362-F420 HydrophobicContact CB-CE2 4.06Å; E362-F420 WeakPolarHBondContact OE2-CE2 3.19Å; R365-F420 HydrophobicContact CB-CE2 4.24Å; R365-F420 HydrophobicContact CB-CZ 4.16Å; W409-F420 AromaticContact CH2-CE1 3.92Å; W409-F420 HydrophobicContact CH2-CE1 3.92Å; W409-F420 HydrophobicContact CH2-CE2 4.25Å; W409-F420 AromaticContact CH2-CZ 3.49Å; W409-F420 HydrophobicContact CH2-CZ 3.49Å; W409-F420 VanDerWaalsContact CH2-CZ 3.49Å; W409-F420 HydrophobicContact CZ3-CE1 4.04Å; W409-F420 AromaticContact CZ3-CE2 3.85Å; W409-F420 HydrophobicContact CZ3-CE2 3.85Å; W409-F420 AromaticContact CZ3-CZ 3.52Å; W409-F420 HydrophobicContact CZ3-CZ 3.52Å; P417-F420 PolarHBondContact O-N 2.92Å; E418-F420 PolarHBondContact O-N 3.41Å; F420-F427 HydrophobicContact CB-CD2 4.04Å; F420-F427 HydrophobicContact CB-CE2 3.83Å; F420-F427 HydrophobicContact CD1-CE2 4.07Å; F420-F427 HydrophobicContact CG-CE2 4.28Å; F420-F427 CarbonylContact O-C 3.5Å; F420-F427 WeakPolarHBondContact O-CA 3.31Å; F420-F427 WeakPolarHBondContact O-CD2 3.26Å; F420-V428 CarbonylContact C-O 3.56Å; F420-V428 VanDerWaalsContact CA-O 3.28Å; F420-V428 WeakPolarHBondContact CA-O 3.31Å; F420-V428 WeakPolarHBondContact CD1-O 3.27Å; F420-V428 PolarHBondContact O-N 2.89Å; F420-F433 HydrophobicContact CE1-CB 4.09Å; F420-F433 AromaticContact CE1-CD2 3.62Å; F420-F433 HydrophobicContact CE1-CD2 3.62Å; F420-F433 HydrophobicContact CE1-CE2 4.15Å; F420-F433 AromaticContact CE1-CG 3.86Å; F420-F433 HydrophobicContact CE1-CG 3.86Å; F420-F433 AromaticContact CZ-CD2 3.45Å; F420-F433 HydrophobicContact CZ-CD2 3.45Å; F420-F433 VanDerWaalsContact CZ-CD2 3.45Å; F420-F433 AromaticContact CZ-CE2 3.83Å; F420-F433 HydrophobicContact CZ-CE2 3.83Å; F420-F433 HydrophobicContact CZ-CG 4.16Å
421L98.7Very high98.1Very high22 Ų2264.4 Ų64.412%0.11532%0.323CS..BIsolated β-bridgetrans-126135.8177.9-62.2167000110.3P354 Y355 A358 E418 H426P354-L421 HydrophobicContact CB-CD2 4.5Å; Y355-L421 HydrophobicContact CD2-CD1 3.63Å; Y355-L421 HydrophobicContact CE2-CD1 4.01Å; A358-L421 HydrophobicContact CB-CD1 4.13Å; A358-L421 HydrophobicContact CB-CD2 3.73Å; A358-L421 HydrophobicContact CB-CG 3.69Å; E418-L421 PolarHBondContact O-N 3.02Å; E418-L421 VanDerWaalsContact O-N 3.08Å; L421-H426 VanDerWaalsContact CA-O 3.32Å; L421-H426 WeakPolarHBondContact CA-O 3.38Å
422D97.9Very high98.1Very high50 Ų5061.5 Ų61.527%0.26731%0.311SS..  trans-76.6175.7165.471.114.6000111.2Q424 G425 H426 V428D422-Q424 PolarHBondContact O-N 2.91Å; D422-Q424 VanDerWaalsContact O-N 3.1Å; D422-Q424 VanDerWaalsContact OD1-CA 3.32Å; D422-Q424 WeakPolarHBondContact OD1-CA 3.27Å; D422-Q424 WeakPolarHBondContact OD1-CB 3.26Å; D422-Q424 PolarHBondContact OD1-N 3.45Å; D422-G425 PolarHBondContact O-N 2.96Å; D422-G425 PolarHBondContact OD1-N 2.73Å; D422-H426 PolarHBondContact N-O 3.47Å; D422-H426 IonicContact OD1-CG 2.95Å; D422-H426 PolarHBondContact OD1-N 3.47Å; D422-H426 IonicContact OD1-ND1 3.23Å; D422-H426 WeakPolarHBondContact OD2-CB 3.47Å; D422-H426 IonicContact OD2-CG 3.38Å; D422-H426 IonicContact OD2-ND1 3.96Å; D422-H426 PolarHBondContact OD2-ND1 3.26Å; D422-V428 HydrophobicContact CB-CG1 4.1Å
423A96.5Very high98.2Very high102 Ų10261.6 Ų61.684%0.84331%0.31SS*.THydrogen-bonded Turntrans-63.5-15.9179.700000113.6
424Q96.9Very high98.2Very high140 Ų14057.4 Ų57.465%0.65429%0.293SS*.THydrogen-bonded Turntrans-93.5-5.9177.1-6769.644.300112.1D422D422-Q424 PolarHBondContact O-N 2.91Å; D422-Q424 VanDerWaalsContact O-N 3.1Å; D422-Q424 VanDerWaalsContact OD1-CA 3.32Å; D422-Q424 WeakPolarHBondContact OD1-CA 3.27Å; D422-Q424 WeakPolarHBondContact OD1-CB 3.26Å; D422-Q424 PolarHBondContact OD1-N 3.45Å
425G96Very high98.2Very high26 Ų2650.4 Ų50.427%0.26827%0.27SS..SBendtrans83.513.3-17800000114.1D422D422-G425 PolarHBondContact O-N 2.96Å; D422-G425 PolarHBondContact OD1-N 2.73Å
426H98Very high98.1Very high112 Ų11251.1 Ų51.152%0.51927%0.273SS..  trans-77.2144.9170.8-49.6119.9000110.5L421 D422 V428L421-H426 VanDerWaalsContact CA-O 3.32Å; L421-H426 WeakPolarHBondContact CA-O 3.38Å; D422-H426 PolarHBondContact N-O 3.47Å; D422-H426 IonicContact OD1-CG 2.95Å; D422-H426 PolarHBondContact OD1-N 3.47Å; D422-H426 IonicContact OD1-ND1 3.23Å; D422-H426 WeakPolarHBondContact OD2-CB 3.47Å; D422-H426 IonicContact OD2-CG 3.38Å; D422-H426 IonicContact OD2-ND1 3.96Å; D422-H426 PolarHBondContact OD2-ND1 3.26Å; H426-V428 PolarHBondContact O-N 3.24Å
427F98.7Very high98.1Very high65 Ų6550.6 Ų50.629%0.28527%0.272SS..BIsolated β-bridgetrans-67.3126.3173.5173.4-101.2000111P354 T357 A358 H361 F420 K429P354-F427 HydrophobicContact CB-CB 3.99Å; T357-F427 HydrophobicContact CG2-CD1 4.1Å; T357-F427 HydrophobicContact CG2-CD2 3.7Å; T357-F427 HydrophobicContact CG2-CE1 4.1Å; T357-F427 HydrophobicContact CG2-CE2 3.69Å; T357-F427 HydrophobicContact CG2-CG 3.91Å; T357-F427 HydrophobicContact CG2-CZ 3.9Å; A358-F427 HydrophobicContact CB-CD2 4.22Å; H361-F427 HydrophobicContact CB-CE2 4.32Å; H361-F427 AromaticContact CD2-CZ 3.71Å; H361-F427 AromaticContact CE1-CE2 3.89Å; H361-F427 AromaticContact CE1-CZ 3.49Å; H361-F427 VanDerWaalsContact CE1-CZ 3.49Å; H361-F427 WeakPolarHBondContact CE1-CZ 3.45Å; H361-F427 AromaticContact CG-CE2 3.78Å; H361-F427 AromaticContact CG-CZ 3.87Å; H361-F427 AromaticContact ND1-CE2 3.64Å; H361-F427 AromaticContact ND1-CZ 3.72Å; H361-F427 AromaticContact NE2-CZ 3.5Å; F420-F427 HydrophobicContact CB-CD2 4.04Å; F420-F427 HydrophobicContact CB-CE2 3.83Å; F420-F427 HydrophobicContact CD1-CE2 4.07Å; F420-F427 HydrophobicContact CG-CE2 4.28Å; F420-F427 CarbonylContact O-C 3.5Å; F420-F427 WeakPolarHBondContact O-CA 3.31Å; F420-F427 WeakPolarHBondContact O-CD2 3.26Å; F427-K429 HydrophobicContact CE1-CB 3.95Å; F427-K429 HydrophobicContact CZ-CB 3.86Å; F427-K429 HydrophobicContact CZ-CG 4.28Å
428V98.3Very high98.1Very high59 Ų5951.1 Ų51.136%0.35828%0.277SS..  trans-124.2140.5172.1-64.90000109.3F420 D422 H426 P430F420-V428 CarbonylContact C-O 3.56Å; F420-V428 VanDerWaalsContact CA-O 3.28Å; F420-V428 WeakPolarHBondContact CA-O 3.31Å; F420-V428 WeakPolarHBondContact CD1-O 3.27Å; F420-V428 PolarHBondContact O-N 2.89Å; D422-V428 HydrophobicContact CB-CG1 4.1Å; H426-V428 PolarHBondContact O-N 3.24Å; V428-P430 WeakPolarHBondContact O-CD 3.4Å
429K98.1Very high98Very high108 Ų10849.3 Ų49.347%0.4728%0.278SS..  trans-114.5101.9-179.8-167.6177.570.41770110.3F427 F433F427-K429 HydrophobicContact CE1-CB 3.95Å; F427-K429 HydrophobicContact CZ-CB 3.86Å; F427-K429 HydrophobicContact CZ-CG 4.28Å; K429-F433 HydrophobicContact CD-CD1 3.96Å; K429-F433 HydrophobicContact CG-CB 4.21Å; K429-F433 HydrophobicContact CG-CD1 4.1Å; K429-F433 HydrophobicContact CG-CG 4.42Å
430P98.1Very high98Very high38 Ų3853.6 Ų53.625%0.24729%0.293CS..  trans-58.3147.3175.6-25.635.3000112.4W409 V428 A432 F433W409-P430 HydrophobicContact CH2-CB 4.19Å; W409-P430 HydrophobicContact CH2-CG 4.14Å; W409-P430 HydrophobicContact CZ3-CB 4.42Å; W409-P430 HydrophobicContact CZ3-CG 3.95Å; V428-P430 WeakPolarHBondContact O-CD 3.4Å; P430-A432 PolarHBondContact O-N 3.08Å; P430-F433 VanDerWaalsContact O-CB 3.28Å; P430-F433 WeakPolarHBondContact O-CB 3.4Å; P430-F433 PolarHBondContact O-N 3.15Å
431E97.9Very high97.9Very high130 Ų13054.3 Ų54.361%0.60730%0.296SS*.THydrogen-bonded Turntrans-62.7-25.1177.1-62.9-164.3158.800113L84 R88 F433L84-E431 HydrophobicContact CD2-CB 3.82Å; R88-E431 IonicContact CZ-OE2 3.45Å; R88-E431 IonicContact NH1-OE1 2.77Å; R88-E431 IonicContact NH1-OE2 2.98Å; R88-E431 PolarHBondContact NH1-OE2 3.28Å; E431-F433 PolarHBondContact O-N 3.38Å
432A98.1Very high97.9Very high2 Ų254 Ų542%0.01730%0.297CS..THydrogen-bonded Turntrans-70.9-4.9175.300000113.4L84 V402 V408 W409 P430 L434L84-A432 HydrophobicContact CD2-CB 4.47Å; V402-A432 HydrophobicContact CG1-CB 3.98Å; V402-A432 WeakPolarHBondContact CG1-O 3.33Å; V408-A432 HydrophobicContact CB-CB 4.33Å; V408-A432 HydrophobicContact CG1-CB 3.65Å; V408-A432 HydrophobicContact CG2-CB 4.43Å; W409-A432 HydrophobicContact CZ2-CB 3.9Å; P430-A432 PolarHBondContact O-N 3.08Å; A432-L434 VanDerWaalsContact C-N 3.33Å; A432-L434 PolarHBondContact O-N 2.94Å
433F98.7Very high97.9Very high13 Ų1354.3 Ų54.36%0.05730%0.302CS..  trans-76.483.3172.2-172.1-108000111.2H361 Q364 R365 L403 W409 F420 K429 P430 E431 P435H361-F433 HydrophobicContact CB-CE2 4.12Å; H361-F433 HydrophobicContact CB-CZ 4.03Å; H361-F433 AromaticContact CD2-CD1 3.8Å; H361-F433 AromaticContact CD2-CE1 3.25Å; H361-F433 WeakPolarHBondContact CD2-CE1 3.45Å; H361-F433 AromaticContact CD2-CZ 3.42Å; H361-F433 VanDerWaalsContact CD2-CZ 3.42Å; H361-F433 WeakPolarHBondContact CD2-CZ 3.28Å; H361-F433 AromaticContact CG-CZ 3.95Å; H361-F433 AromaticContact NE2-CE1 3.9Å; H361-F433 VanDerWaalsContact O-CE2 3.29Å; H361-F433 WeakPolarHBondContact O-CE2 3.4Å; Q364-F433 HydrophobicContact CB-CE2 4.03Å; Q364-F433 HydrophobicContact CB-CZ 3.97Å; R365-F433 HydrophobicContact CB-CD2 4.39Å; R365-F433 HydrophobicContact CB-CE2 4.28Å; L403-F433 HydrophobicContact CD2-CD2 4.32Å; W409-F433 HydrophobicContact CH2-CB 4.24Å; W409-F433 HydrophobicContact CH2-CD2 4.45Å; F420-F433 HydrophobicContact CE1-CB 4.09Å; F420-F433 AromaticContact CE1-CD2 3.62Å; F420-F433 HydrophobicContact CE1-CD2 3.62Å; F420-F433 HydrophobicContact CE1-CE2 4.15Å; F420-F433 AromaticContact CE1-CG 3.86Å; F420-F433 HydrophobicContact CE1-CG 3.86Å; F420-F433 AromaticContact CZ-CD2 3.45Å; F420-F433 HydrophobicContact CZ-CD2 3.45Å; F420-F433 VanDerWaalsContact CZ-CD2 3.45Å; F420-F433 AromaticContact CZ-CE2 3.83Å; F420-F433 HydrophobicContact CZ-CE2 3.83Å; F420-F433 HydrophobicContact CZ-CG 4.16Å; K429-F433 HydrophobicContact CD-CD1 3.96Å; K429-F433 HydrophobicContact CG-CB 4.21Å; K429-F433 HydrophobicContact CG-CD1 4.1Å; K429-F433 HydrophobicContact CG-CG 4.42Å; P430-F433 VanDerWaalsContact O-CB 3.28Å; P430-F433 WeakPolarHBondContact O-CB 3.4Å; P430-F433 PolarHBondContact O-N 3.15Å; E431-F433 PolarHBondContact O-N 3.38Å; F433-P435 HydrophobicContact CD1-CG 4.2Å; F433-P435 HydrophobicContact CD2-CG 4.29Å; F433-P435 HydrophobicContact CE1-CG 3.68Å; F433-P435 HydrophobicContact CE2-CG 3.79Å; F433-P435 HydrophobicContact CZ-CG 3.49Å; F433-P435 VanDerWaalsContact CZ-CG 3.49Å; F433-P435 WeakPolarHBondContact O-CD 3.49Å
434L98.3Very high98Very high29 Ų2950.8 Ų50.815%0.15227%0.269CS..  trans-118.247.6-179.8-68.1-178.1000114.6L84 V87 V402 A432 F436 S437 A438L84-L434 HydrophobicContact CD1-CD1 3.43Å; L84-L434 VanDerWaalsContact CD1-CD1 3.43Å; L84-L434 HydrophobicContact CD1-CG 4.29Å; V87-L434 HydrophobicContact CG1-CD1 4.49Å; V402-L434 HydrophobicContact CG1-CD1 4.39Å; A432-L434 VanDerWaalsContact C-N 3.33Å; A432-L434 PolarHBondContact O-N 2.94Å; L434-F436 PolarHBondContact O-N 3.27Å; L434-F436 VanDerWaalsContact O-N 3.16Å; L434-S437 PolarHBondContact O-N 3.22Å; L434-S437 VanDerWaalsContact O-N 3.17Å; L434-A438 HydrophobicContact CD2-CB 4.38Å
435P98.3Very high97.9Very high26 Ų2645 Ų4517%0.16925%0.246CC..THydrogen-bonded Turntrans-66.3-17.617731-36.3000113Q364 L403 F433Q364-P435 HydrophobicContact CB-CB 4.48Å; Q364-P435 HydrophobicContact CB-CG 4.47Å; L403-P435 HydrophobicContact CD1-CB 4.33Å; F433-P435 HydrophobicContact CD1-CG 4.2Å; F433-P435 HydrophobicContact CD2-CG 4.29Å; F433-P435 HydrophobicContact CE1-CG 3.68Å; F433-P435 HydrophobicContact CE2-CG 3.79Å; F433-P435 HydrophobicContact CZ-CG 3.49Å; F433-P435 VanDerWaalsContact CZ-CG 3.49Å; F433-P435 WeakPolarHBondContact O-CD 3.49Å
436F98.3Very high98Very high30 Ų3046 Ų4613%0.13224%0.244CC..THydrogen-bonded Turntrans-10213.8179-61.6-70.3000113.4L434 A442 C443 E446 A449L434-F436 PolarHBondContact O-N 3.27Å; L434-F436 VanDerWaalsContact O-N 3.16Å; F436-A442 WeakPolarHBondContact O-CA 3.49Å; F436-C443 HydrophobicContact CB-CB 3.87Å; F436-C443 HydrophobicContact CD1-CB 3.67Å; F436-C443 HydrophobicContact CG-CB 4.19Å; F436-C443 PolarHBondContact O-N 3.31Å; F436-E446 HydrophobicContact CB-CB 4.36Å; F436-E446 HydrophobicContact CD1-CB 4.04Å; F436-E446 HydrophobicContact CD1-CG 4.46Å; F436-E446 HydrophobicContact CD2-CB 4.13Å; F436-E446 HydrophobicContact CD2-CG 3.66Å; F436-E446 HydrophobicContact CE1-CB 4.33Å; F436-E446 HydrophobicContact CE2-CB 4.43Å; F436-E446 HydrophobicContact CE2-CG 3.87Å; F436-E446 HydrophobicContact CG-CB 3.91Å; F436-E446 HydrophobicContact CG-CG 3.97Å; F436-E446 HydrophobicContact CZ-CG 4.34Å; F436-A449 HydrophobicContact CE1-CB 4.02Å; F436-A449 HydrophobicContact CZ-CB 4.02Å
437S98.3Very high97.8Very high19 Ų1943.6 Ų43.613%0.13324%0.238CC..  trans58.1-162.6-171.3-166.50000112.2L91 L434L91-S437 VanDerWaalsContact CD1-OG 3.28Å; L91-S437 WeakPolarHBondContact CD1-OG 3.24Å; L434-S437 PolarHBondContact O-N 3.22Å; L434-S437 VanDerWaalsContact O-N 3.17Å
438A97.9Very high97.6Very high14 Ų1440.9 Ų40.912%0.11623%0.227CC..  trans-140172.4-178.400000112.2L91 V92 L434L91-A438 HydrophobicContact CB-CB 4.29Å; L91-A438 HydrophobicContact CD1-CB 4.28Å; V92-A438 HydrophobicContact CG2-CB 4.09Å; L434-A438 HydrophobicContact CD2-CB 4.38Å
439G97.8Very high97.5Very high33 Ų3338.5 Ų38.534%0.3421%0.213SC..G310 helixtrans74.5-162.117400000114.7L91 R441 A442L91-G439 VanDerWaalsContact O-CA 3.26Å; L91-G439 WeakPolarHBondContact O-CA 3.37Å; G439-R441 PolarHBondContact O-N 3.17Å; G439-R441 VanDerWaalsContact O-N 3.1Å; G439-A442 WeakPolarHBondContact O-CB 3.33Å; G439-A442 PolarHBondContact O-N 3.46Å; G439-A442 VanDerWaalsContact O-N 3.09Å
440R97.8Very high97.5Very high108 Ų10836.4 Ų36.441%0.40820%0.202SC..G310 helixtrans-62.4-22.2-172.1-63.8-173.9177.1-149.3-4.7114.2E96 A99 Y124 W128E96-R440 VanDerWaalsContact CG-NH2 3.32Å; E96-R440 IonicContact OE1-CZ 2.93Å; E96-R440 IonicContact OE1-NH1 2.74Å; E96-R440 PolarHBondContact OE1-NH1 3.49Å; E96-R440 IonicContact OE1-NH2 2.67Å; E96-R440 PolarHBondContact OE1-NH2 2.86Å; A99-R440 HydrophobicContact CB-CB 4.19Å; Y124-R440 PolarHBondContact OH-NH1 3.49Å; W128-R440 HydrophobicContact CH2-CB 4.04Å; W128-R440 WeakPolarHBondContact CZ2-O 3.43Å
441R98.2Very high97.3Very high15 Ų1535.2 Ų35.26%0.05719%0.194CC..G310 helixtrans-105.65.3-178.8-74-75.1-173.5155.67.5113.5A99 V119 A122 W128 G439A99-R441 HydrophobicContact CB-CG 4.34Å; A99-R441 PolarHBondContact O-NE 2.82Å; A99-R441 PolarHBondContact O-NH2 2.91Å; V119-R441 PolarHBondContact O-NH1 2.5Å; V119-R441 VanDerWaalsContact O-NH1 3.13Å; A122-R441 PolarHBondContact O-NH1 2.72Å; A122-R441 PolarHBondContact O-NH2 2.99Å; W128-R441 VanDerWaalsContact CD1-CZ 3.46Å; W128-R441 HydrophobicContact CZ2-CG 4.29Å; W128-R441 VanDerWaalsContact NE1-CZ 3.31Å; W128-R441 VanDerWaalsContact NE1-NH1 3.15Å; G439-R441 PolarHBondContact O-N 3.17Å; G439-R441 VanDerWaalsContact O-N 3.1Å
442A98.1Very high97.3Very high16 Ų1629.1 Ų29.113%0.13217%0.165CC..SBendtrans-50.2150.5170.700000110.5R132 F436 G439 L444R132-A442 VanDerWaalsContact CZ-O 3.23Å; R132-A442 PolarHBondContact NH1-O 2.83Å; R132-A442 PolarHBondContact NH2-O 3.23Å; F436-A442 WeakPolarHBondContact O-CA 3.49Å; G439-A442 WeakPolarHBondContact O-CB 3.33Å; G439-A442 PolarHBondContact O-N 3.46Å; G439-A442 VanDerWaalsContact O-N 3.09Å; A442-L444 PolarHBondContact O-N 3.48Å; A442-L444 VanDerWaalsContact O-N 3.15Å
443C98.4Very high97.4Very high56 Ų5629.3 Ų29.338%0.37817%0.166SC..  trans-51.9122.7-173.9-173.20000111.8F436 G445 E446F436-C443 HydrophobicContact CB-CB 3.87Å; F436-C443 HydrophobicContact CD1-CB 3.67Å; F436-C443 HydrophobicContact CG-CB 4.19Å; F436-C443 PolarHBondContact O-N 3.31Å; C443-G445 PolarHBondContact O-N 2.78Å; C443-G445 PolarHBondContact SG-N 3.26Å; C443-E446 HydrophobicContact CB-CB 4.46Å
444L96.9Very high97.4Very high28 Ų2828.7 Ų28.715%0.14716%0.163CC..THydrogen-bonded Turntrans-69.7-24.1173.554.194.9000112.4V119 R132 V136 L139 L302 A442 E446V119-L444 HydrophobicContact CB-CD2 4.49Å; V119-L444 HydrophobicContact CG1-CD2 3.57Å; R132-L444 VanDerWaalsContact CZ-CB 3.42Å; V136-L444 HydrophobicContact CG2-CB 3.85Å; L139-L444 HydrophobicContact CD1-CD1 3.64Å; L302-L444 HydrophobicContact CD2-CD1 3.7Å; A442-L444 PolarHBondContact O-N 3.48Å; A442-L444 VanDerWaalsContact O-N 3.15Å; L444-E446 VanDerWaalsContact C-N 3.33Å
445G96.3Very high97.4Very high17 Ų1727.3 Ų27.318%0.17516%0.156CC..THydrogen-bonded Turntrans-84.8-1.1-178.400000113.9C443 P447 L448 A449C443-G445 PolarHBondContact O-N 2.78Å; C443-G445 PolarHBondContact SG-N 3.26Å; G445-P447 VanDerWaalsContact C-CD 3.49Å; G445-P447 VanDerWaalsContact C-N 3.33Å; G445-L448 PolarHBondContact O-N 3.39Å; G445-A449 WeakPolarHBondContact O-CB 3.01Å; G445-A449 PolarHBondContact O-N 3.13Å
446E96.5Very high97.4Very high47 Ų4726.1 Ų26.122%0.2215%0.148CC..Hα-helixtrans-50.4-45.1-178.8169.4-179.2178.600113.3F436 C443 L444 L448 A449 R450F436-E446 HydrophobicContact CB-CB 4.36Å; F436-E446 HydrophobicContact CD1-CB 4.04Å; F436-E446 HydrophobicContact CD1-CG 4.46Å; F436-E446 HydrophobicContact CD2-CB 4.13Å; F436-E446 HydrophobicContact CD2-CG 3.66Å; F436-E446 HydrophobicContact CE1-CB 4.33Å; F436-E446 HydrophobicContact CE2-CB 4.43Å; F436-E446 HydrophobicContact CE2-CG 3.87Å; F436-E446 HydrophobicContact CG-CB 3.91Å; F436-E446 HydrophobicContact CG-CG 3.97Å; F436-E446 HydrophobicContact CZ-CG 4.34Å; C443-E446 HydrophobicContact CB-CB 4.46Å; L444-E446 VanDerWaalsContact C-N 3.33Å; E446-L448 VanDerWaalsContact C-N 3.34Å; E446-L448 PolarHBondContact O-N 3.21Å; E446-A449 PolarHBondContact O-N 3.45Å; E446-R450 WeakPolarHBondContact O-CG 3.27Å; E446-R450 PolarHBondContact O-N 3.41Å; E446-R450 IonicContact OE1-CZ 3.3Å; E446-R450 IonicContact OE1-NE 3.72Å; E446-R450 IonicContact OE1-NH1 2.7Å; E446-R450 PolarHBondContact OE1-NH1 2.87Å; E446-R450 IonicContact OE1-NH2 3.82Å; E446-R450 PolarHBondContact OE1-NH2 3.36Å
447P94.8Very high97.4Very high62 Ų6224.9 Ų24.940%0.40314%0.143SC..Hα-helixtrans-63.5-38.5177.9-25.537.6000113.5L144 G445 M451L144-P447 HydrophobicContact CD1-CB 3.63Å; L144-P447 HydrophobicContact CD1-CG 4Å; L144-P447 HydrophobicContact CD2-CB 3.58Å; L144-P447 HydrophobicContact CG-CB 4.09Å; G445-P447 VanDerWaalsContact C-CD 3.49Å; G445-P447 VanDerWaalsContact C-N 3.33Å; P447-M451 PolarHBondContact O-N 3.25Å
448L94.7Very high97.4Very high8 Ų824 Ų244%0.04214%0.136CC..Hα-helixtrans-69.4-47.7177.717161.5000110.3L139 L144 L149 V185 I186 L189 G445 E446 R450 M451 E452L139-L448 HydrophobicContact CD2-CD2 4.29Å; L144-L448 HydrophobicContact CD2-CB 4.14Å; L149-L448 HydrophobicContact CD1-CD1 4.47Å; L149-L448 HydrophobicContact CD2-CD1 3.9Å; L149-L448 HydrophobicContact CG-CD1 4.42Å; V185-L448 HydrophobicContact CG1-CD1 3.91Å; I186-L448 HydrophobicContact CD1-CD2 3.59Å; L189-L448 HydrophobicContact CD2-CD2 4.17Å; G445-L448 PolarHBondContact O-N 3.39Å; E446-L448 VanDerWaalsContact C-N 3.34Å; E446-L448 PolarHBondContact O-N 3.21Å; L448-R450 VanDerWaalsContact C-N 3.33Å; L448-R450 PolarHBondContact O-N 2.96Å; L448-M451 HydrophobicContact CD1-CE 3.69Å; L448-M451 WeakPolarHBondContact O-CB 3.46Å; L448-M451 PolarHBondContact O-N 3.19Å; L448-M451 VanDerWaalsContact O-N 3.08Å; L448-E452 HydrophobicContact CD1-CG 4Å; L448-E452 WeakPolarHBondContact CD1-OE1 3.23Å; L448-E452 HydrophobicContact CG-CG 4.42Å; L448-E452 WeakPolarHBondContact CG-OE1 3.49Å; L448-E452 PolarHBondContact O-N 3.05Å
449A96.7Very high97.5Very high9 Ų923.7 Ų23.77%0.07413%0.133CC..Hα-helixtrans-58-42.8177.700000111.9F436 G445 E446 M451 E452 L453F436-A449 HydrophobicContact CE1-CB 4.02Å; F436-A449 HydrophobicContact CZ-CB 4.02Å; G445-A449 WeakPolarHBondContact O-CB 3.01Å; G445-A449 PolarHBondContact O-N 3.13Å; E446-A449 PolarHBondContact O-N 3.45Å; A449-M451 VanDerWaalsContact C-N 3.31Å; A449-M451 PolarHBondContact O-N 2.94Å; A449-E452 PolarHBondContact O-N 3.09Å; A449-L453 VanDerWaalsContact O-CB 3.31Å; A449-L453 WeakPolarHBondContact O-CB 3.37Å; A449-L453 WeakPolarHBondContact O-CG 3.46Å; A449-L453 PolarHBondContact O-N 2.97Å
450R96.4Very high97.5Very high65 Ų6522.2 Ų22.225%0.24512%0.117CC..Hα-helixtrans-59.1-41.9175.5-81.3-169.3171.112514.2112.7E446 L448 F454E446-R450 WeakPolarHBondContact O-CG 3.27Å; E446-R450 PolarHBondContact O-N 3.41Å; E446-R450 IonicContact OE1-CZ 3.3Å; E446-R450 IonicContact OE1-NE 3.72Å; E446-R450 IonicContact OE1-NH1 2.7Å; E446-R450 PolarHBondContact OE1-NH1 2.87Å; E446-R450 IonicContact OE1-NH2 3.82Å; E446-R450 PolarHBondContact OE1-NH2 3.36Å; L448-R450 VanDerWaalsContact C-N 3.33Å; L448-R450 PolarHBondContact O-N 2.96Å; R450-F454 WeakPolarHBondContact O-CB 3.37Å; R450-F454 PolarHBondContact O-N 2.95Å; R450-F454 VanDerWaalsContact O-N 3.11Å
451M95.8Very high97.5Very high13 Ų1317 Ų176%0.06410%0.098CC..Hα-helixtrans-68.3-47.8178.9-178.8-174.86700111.3L149 E150 V153 M347 P447 L448 A449 L453 F454 L455L149-M451 HydrophobicContact CB-CE 4.43Å; L149-M451 HydrophobicContact CD2-CE 3.13Å; L149-M451 HydrophobicContact CD2-SD 3.93Å; L149-M451 HydrophobicContact CG-CE 3.59Å; E150-M451 HydrophobicContact CB-SD 4.08Å; V153-M451 HydrophobicContact CB-CE 4.3Å; V153-M451 HydrophobicContact CG2-CE 3.47Å; V153-M451 VanDerWaalsContact CG2-CE 3.47Å; M347-M451 HydrophobicContact CE-CB 4.31Å; M347-M451 HydrophobicContact CE-CG 4.45Å; M347-M451 HydrophobicContact CG-CG 3.68Å; M347-M451 HydrophobicContact CG-SD 4.38Å; M347-M451 HydrophobicContact SD-CB 3.98Å; M347-M451 HydrophobicContact SD-CG 3.59Å; M347-M451 VanDerWaalsContact SD-CG 3.59Å; P447-M451 PolarHBondContact O-N 3.25Å; L448-M451 HydrophobicContact CD1-CE 3.69Å; L448-M451 WeakPolarHBondContact O-CB 3.46Å; L448-M451 PolarHBondContact O-N 3.19Å; L448-M451 VanDerWaalsContact O-N 3.08Å; A449-M451 VanDerWaalsContact C-N 3.31Å; A449-M451 PolarHBondContact O-N 2.94Å; M451-L453 PolarHBondContact O-N 3.01Å; M451-F454 PolarHBondContact O-N 3.05Å; M451-L455 HydrophobicContact CG-CD1 3.63Å; M451-L455 HydrophobicContact CG-CG 4.34Å; M451-L455 WeakPolarHBondContact O-CB 3.27Å; M451-L455 WeakPolarHBondContact O-CG 2.98Å; M451-L455 PolarHBondContact O-N 2.93Å; M451-L455 HydrophobicContact SD-CD1 4.4Å
452E97.8Very high97.6Very high1 Ų116.6 Ų16.61%0.00510%0.096CC..Hα-helixtrans-58.7-49176.4-72.6-173.9-119.500111.9V153 V182 V185 T310 L448 A449 F454 L455 F456V153-E452 HydrophobicContact CG1-CG 4.34Å; V153-E452 HydrophobicContact CG2-CG 4.12Å; V182-E452 WeakPolarHBondContact CG1-OE2 3.41Å; V185-E452 HydrophobicContact CG1-CG 4.03Å; V185-E452 HydrophobicContact CG2-CG 4.48Å; T310-E452 HydrophobicContact CG2-CB 3.78Å; L448-E452 HydrophobicContact CD1-CG 4Å; L448-E452 WeakPolarHBondContact CD1-OE1 3.23Å; L448-E452 HydrophobicContact CG-CG 4.42Å; L448-E452 WeakPolarHBondContact CG-OE1 3.49Å; L448-E452 PolarHBondContact O-N 3.05Å; A449-E452 PolarHBondContact O-N 3.09Å; E452-F454 VanDerWaalsContact C-N 3.34Å; E452-F454 PolarHBondContact O-N 3.35Å; E452-L455 PolarHBondContact O-N 2.85Å; E452-F456 HydrophobicContact CB-CD2 3.99Å; E452-F456 HydrophobicContact CB-CE2 4.13Å; E452-F456 HydrophobicContact CG-CE2 4.19Å; E452-F456 VanDerWaalsContact O-CB 3.3Å; E452-F456 WeakPolarHBondContact O-CB 3.36Å; E452-F456 VanDerWaalsContact O-CD2 3.23Å; E452-F456 WeakPolarHBondContact O-CD2 3.28Å; E452-F456 PolarHBondContact O-N 3.22Å
453L98.7Very high97.6Very high7 Ų720.5 Ų20.54%0.03711%0.108CC..Hα-helixtrans-59.7-45.1179.6-69.6175.4000111.5T310 T313 L314 I360 Q364 A449 M451 F457T310-L453 HydrophobicContact CG2-CD2 4.04Å; T310-L453 HydrophobicContact CG2-CG 4.37Å; T313-L453 HydrophobicContact CG2-CD1 3.91Å; T313-L453 HydrophobicContact CG2-CD2 3.5Å; T313-L453 HydrophobicContact CG2-CG 4.38Å; L314-L453 HydrophobicContact CD2-CD2 3.95Å; L314-L453 HydrophobicContact CG-CD2 3.96Å; I360-L453 HydrophobicContact CG2-CB 3.94Å; I360-L453 HydrophobicContact CG2-CD1 4.32Å; Q364-L453 HydrophobicContact CG-CD1 4.02Å; A449-L453 VanDerWaalsContact O-CB 3.31Å; A449-L453 WeakPolarHBondContact O-CB 3.37Å; A449-L453 WeakPolarHBondContact O-CG 3.46Å; A449-L453 PolarHBondContact O-N 2.97Å; M451-L453 PolarHBondContact O-N 3.01Å; L453-F457 WeakPolarHBondContact O-CB 3.45Å; L453-F457 PolarHBondContact O-N 3.01Å; L453-F457 VanDerWaalsContact O-N 3.15Å
454F98.6Very high97.6Very high0 Ų017.9 Ų17.90%09%0.09CC..Hα-helixtrans-65-52.1178.8-176.3-97.5000112E346 M347 D349 Q350 M353 T356 I360 R450 M451 E452 T458E346-F454 WeakPolarHBondContact O-CE1 3.49Å; M347-F454 HydrophobicContact SD-CB 4.15Å; M347-F454 HydrophobicContact SD-CD1 3.77Å; M347-F454 HydrophobicContact SD-CG 4.31Å; D349-F454 HydrophobicContact CB-CE1 4.47Å; D349-F454 HydrophobicContact CB-CZ 4.35Å; Q350-F454 HydrophobicContact CB-CD1 4.22Å; Q350-F454 HydrophobicContact CB-CD2 3.97Å; Q350-F454 HydrophobicContact CB-CE1 3.92Å; Q350-F454 HydrophobicContact CB-CE2 3.65Å; Q350-F454 HydrophobicContact CB-CG 4.24Å; Q350-F454 HydrophobicContact CB-CZ 3.63Å; Q350-F454 HydrophobicContact CG-CD2 3.74Å; Q350-F454 HydrophobicContact CG-CE2 3.72Å; Q350-F454 HydrophobicContact CG-CG 4.27Å; Q350-F454 HydrophobicContact CG-CZ 4.24Å; M353-F454 HydrophobicContact SD-CE2 4.3Å; M353-F454 HydrophobicContact SD-CZ 3.78Å; T356-F454 HydrophobicContact CG2-CE2 4.35Å; I360-F454 HydrophobicContact CD1-CB 4.29Å; I360-F454 HydrophobicContact CD1-CD2 3.91Å; R450-F454 WeakPolarHBondContact O-CB 3.37Å; R450-F454 PolarHBondContact O-N 2.95Å; R450-F454 VanDerWaalsContact O-N 3.11Å; M451-F454 PolarHBondContact O-N 3.05Å; E452-F454 VanDerWaalsContact C-N 3.34Å; E452-F454 PolarHBondContact O-N 3.35Å; F454-T458 HydrophobicContact CD2-CG2 4.25Å; F454-T458 HydrophobicContact CE1-CG2 4.32Å; F454-T458 HydrophobicContact CE2-CG2 3.92Å; F454-T458 HydrophobicContact CZ-CG2 3.96Å; F454-T458 WeakPolarHBondContact O-CB 3.22Å; F454-T458 VanDerWaalsContact O-CG2 3.31Å; F454-T458 WeakPolarHBondContact O-CG2 3.3Å; F454-T458 PolarHBondContact O-N 3.44Å; F454-T458 PolarHBondContact O-OG1 2.61Å
455L98.3Very high97.7Very high0 Ų019 Ų190%010%0.1CC..Hα-helixtrans-68.8-47.6-174.4-65.4175000112.1E150 V153 P345 M347 M451 E452 T458 C459E150-L455 HydrophobicContact CG-CD1 4.09Å; V153-L455 HydrophobicContact CB-CD1 3.89Å; V153-L455 HydrophobicContact CG1-CB 3.8Å; V153-L455 HydrophobicContact CG1-CD1 3.68Å; V153-L455 HydrophobicContact CG1-CG 4.37Å; P345-L455 HydrophobicContact CB-CD2 4.42Å; M347-L455 HydrophobicContact CG-CD1 4.21Å; M347-L455 HydrophobicContact CG-CD2 4.34Å; M347-L455 HydrophobicContact CG-CG 4.35Å; M347-L455 HydrophobicContact SD-CD1 4.25Å; M347-L455 HydrophobicContact SD-CD2 4.15Å; M347-L455 HydrophobicContact SD-CG 3.89Å; M451-L455 HydrophobicContact CG-CD1 3.63Å; M451-L455 HydrophobicContact CG-CG 4.34Å; M451-L455 WeakPolarHBondContact O-CB 3.27Å; M451-L455 WeakPolarHBondContact O-CG 2.98Å; M451-L455 PolarHBondContact O-N 2.93Å; M451-L455 HydrophobicContact SD-CD1 4.4Å; E452-L455 PolarHBondContact O-N 2.85Å; L455-T458 PolarHBondContact O-OG1 2.73Å; L455-C459 VanDerWaalsContact O-CB 3.23Å; L455-C459 WeakPolarHBondContact O-CB 3.4Å; L455-C459 PolarHBondContact O-N 2.79Å; L455-C459 PolarHBondContact O-SG 3.35Å
456F98.8Very high97.8Very high1 Ų118.4 Ų18.40%0.0049%0.093CC..Hα-helixtrans-63.4-46.3178.1-76-60.6000111.4V153 E156 A157 L160 A181 V182 V185 L314 E452 C459 L460V153-F456 HydrophobicContact CG1-CD2 4.35Å; V153-F456 HydrophobicContact CG1-CE2 4.07Å; V153-F456 HydrophobicContact CG1-CZ 4.32Å; E156-F456 HydrophobicContact CB-CE1 4.44Å; E156-F456 HydrophobicContact CB-CZ 4.35Å; E156-F456 HydrophobicContact CG-CE1 4.4Å; E156-F456 HydrophobicContact CG-CZ 4.21Å; A157-F456 HydrophobicContact CB-CD1 3.62Å; A157-F456 HydrophobicContact CB-CE1 3.85Å; L160-F456 HydrophobicContact CD2-CD1 3.76Å; L160-F456 HydrophobicContact CD2-CE1 4.16Å; A181-F456 HydrophobicContact CB-CE1 3.86Å; A181-F456 HydrophobicContact CB-CZ 4.01Å; V182-F456 HydrophobicContact CG2-CE2 4.17Å; V185-F456 HydrophobicContact CG2-CE2 3.89Å; V185-F456 HydrophobicContact CG2-CZ 3.74Å; L314-F456 HydrophobicContact CD1-CB 3.82Å; L314-F456 HydrophobicContact CD1-CD2 3.91Å; L314-F456 HydrophobicContact CD1-CG 4.06Å; L314-F456 HydrophobicContact CD2-CB 3.95Å; E452-F456 HydrophobicContact CB-CD2 3.99Å; E452-F456 HydrophobicContact CB-CE2 4.13Å; E452-F456 HydrophobicContact CG-CE2 4.19Å; E452-F456 VanDerWaalsContact O-CB 3.3Å; E452-F456 WeakPolarHBondContact O-CB 3.36Å; E452-F456 VanDerWaalsContact O-CD2 3.23Å; E452-F456 WeakPolarHBondContact O-CD2 3.28Å; E452-F456 PolarHBondContact O-N 3.22Å; F456-C459 PolarHBondContact O-N 3.36Å; F456-L460 WeakPolarHBondContact O-CB 3.49Å; F456-L460 WeakPolarHBondContact O-CD1 3.36Å; F456-L460 WeakPolarHBondContact O-CG 3.23Å; F456-L460 PolarHBondContact O-N 3.09Å
457F98.9Very high97.9Very high4 Ų418.6 Ų18.62%0.01810%0.1CC..Hα-helixtrans-64-45.3-177.5-171.6-103.5000112.1L314 M321 V331 T356 V359 I360 L453 L461L314-F457 HydrophobicContact CD2-CB 4.36Å; M321-F457 HydrophobicContact CE-CZ 4.13Å; M321-F457 HydrophobicContact CG-CE2 3.86Å; M321-F457 HydrophobicContact CG-CZ 3.79Å; M321-F457 HydrophobicContact SD-CE2 4.4Å; M321-F457 HydrophobicContact SD-CZ 3.73Å; V331-F457 HydrophobicContact CG1-CE1 4.15Å; T356-F457 HydrophobicContact CG2-CD1 4.24Å; T356-F457 HydrophobicContact CG2-CE1 4.42Å; V359-F457 HydrophobicContact CG1-CE1 3.88Å; V359-F457 HydrophobicContact CG1-CZ 3.72Å; I360-F457 HydrophobicContact CD1-CB 4.34Å; I360-F457 HydrophobicContact CD1-CD1 3.98Å; I360-F457 HydrophobicContact CD1-CG 4.44Å; I360-F457 HydrophobicContact CG1-CB 4.46Å; I360-F457 HydrophobicContact CG1-CD1 3.74Å; I360-F457 HydrophobicContact CG1-CE1 4.13Å; I360-F457 HydrophobicContact CG1-CG 4.16Å; L453-F457 WeakPolarHBondContact O-CB 3.45Å; L453-F457 PolarHBondContact O-N 3.01Å; L453-F457 VanDerWaalsContact O-N 3.15Å; F457-L461 HydrophobicContact CD1-CD1 3.9Å; F457-L461 HydrophobicContact CD2-CD1 4.44Å; F457-L461 HydrophobicContact CE1-CD1 3.39Å; F457-L461 HydrophobicContact CE2-CD1 3.98Å; F457-L461 HydrophobicContact CG-CD1 4.41Å; F457-L461 HydrophobicContact CZ-CD1 3.43Å; F457-L461 VanDerWaalsContact CZ-CD1 3.43Å; F457-L461 WeakPolarHBondContact O-CB 3.31Å; F457-L461 PolarHBondContact O-N 3.47Å
458T98.8Very high98.1Very high0 Ų017.6 Ų17.60%09%0.092CC..Hα-helixtrans-68.4-42.3177.3530000112.2I335 P345 M353 T356 F454 L455 L460 L461 Q462I335-T458 HydrophobicContact CD1-CG2 4.47Å; P345-T458 VanDerWaalsContact CB-OG1 3.24Å; P345-T458 WeakPolarHBondContact CB-OG1 3.34Å; P345-T458 WeakPolarHBondContact CG-OG1 3.21Å; M353-T458 HydrophobicContact CE-CG2 4.17Å; T356-T458 HydrophobicContact CG2-CG2 3.74Å; F454-T458 HydrophobicContact CD2-CG2 4.25Å; F454-T458 HydrophobicContact CE1-CG2 4.32Å; F454-T458 HydrophobicContact CE2-CG2 3.92Å; F454-T458 HydrophobicContact CZ-CG2 3.96Å; F454-T458 WeakPolarHBondContact O-CB 3.22Å; F454-T458 VanDerWaalsContact O-CG2 3.31Å; F454-T458 WeakPolarHBondContact O-CG2 3.3Å; F454-T458 PolarHBondContact O-N 3.44Å; F454-T458 PolarHBondContact O-OG1 2.61Å; L455-T458 PolarHBondContact O-OG1 2.73Å; T458-L460 VanDerWaalsContact C-N 3.31Å; T458-L460 PolarHBondContact O-N 3.42Å; T458-L461 PolarHBondContact O-N 3.16Å; T458-Q462 WeakPolarHBondContact O-CB 3.34Å; T458-Q462 PolarHBondContact O-N 2.91Å
459C98.5Very high98.2Very high8 Ų817.4 Ų17.45%0.0549%0.091CC..Hα-helixtrans-59.6-43.1176.4-72.10000111.9A157 P345 L455 F456 R463A157-C459 HydrophobicContact CB-CB 3.92Å; P345-C459 VanDerWaalsContact CD-SG 3.58Å; L455-C459 VanDerWaalsContact O-CB 3.23Å; L455-C459 WeakPolarHBondContact O-CB 3.4Å; L455-C459 PolarHBondContact O-N 2.79Å; L455-C459 PolarHBondContact O-SG 3.35Å; F456-C459 PolarHBondContact O-N 3.36Å; C459-R463 PolarHBondContact O-N 3.37Å
460L98.8Very high98.2Very high1 Ų122 Ų221%0.00513%0.13CC..Hα-helixtrans-64.7-50.6178.3-73.3170.7000111.4L160 F164 L178 L318 F456 T458 Q462 R463 F464 F466L160-L460 HydrophobicContact CD2-CD1 4.06Å; L160-L460 HydrophobicContact CD2-CD2 4.14Å; L160-L460 HydrophobicContact CD2-CG 4.33Å; L160-L460 HydrophobicContact CG-CD2 4.2Å; F164-L460 HydrophobicContact CD1-CD2 3.93Å; F164-L460 HydrophobicContact CE1-CD2 3.97Å; F164-L460 HydrophobicContact CG-CD2 4.25Å; F164-L460 HydrophobicContact CZ-CD2 4.32Å; L178-L460 HydrophobicContact CD2-CD1 4.35Å; L318-L460 HydrophobicContact CD1-CD1 4.44Å; L318-L460 HydrophobicContact CD2-CD1 4.27Å; F456-L460 WeakPolarHBondContact O-CB 3.49Å; F456-L460 WeakPolarHBondContact O-CD1 3.36Å; F456-L460 WeakPolarHBondContact O-CG 3.23Å; F456-L460 PolarHBondContact O-N 3.09Å; T458-L460 VanDerWaalsContact C-N 3.31Å; T458-L460 PolarHBondContact O-N 3.42Å; L460-Q462 VanDerWaalsContact C-N 3.34Å; L460-Q462 PolarHBondContact O-N 2.72Å; L460-R463 PolarHBondContact O-N 3.01Å; L460-F464 HydrophobicContact CD2-CD2 4.46Å; L460-F464 WeakPolarHBondContact O-CB 3.3Å; L460-F464 WeakPolarHBondContact O-CD2 3.34Å; L460-F464 PolarHBondContact O-N 3.2Å; L460-F466 HydrophobicContact CB-CE2 4.09Å; L460-F466 HydrophobicContact CB-CZ 4.03Å; L460-F466 HydrophobicContact CD2-CZ 4.33Å
461L98.8Very high98.1Very high0 Ų023.2 Ų23.20%016%0.162CC..Hα-helixtrans-73.4-24.5-178.7-71.1179.9000113.8M321 Q328 V331 Q332 I335 F457 T458 R463 F466 R497M321-L461 HydrophobicContact CG-CD1 4.09Å; M321-L461 HydrophobicContact CG-CD2 4.28Å; M321-L461 HydrophobicContact SD-CD1 4.08Å; Q328-L461 HydrophobicContact CG-CD2 3.76Å; V331-L461 HydrophobicContact CB-CD1 4.14Å; V331-L461 HydrophobicContact CG1-CB 4.38Å; V331-L461 HydrophobicContact CG1-CD1 3.48Å; V331-L461 VanDerWaalsContact CG1-CD1 3.48Å; Q332-L461 HydrophobicContact CG-CB 4.41Å; Q332-L461 WeakPolarHBondContact CG-O 3.43Å; I335-L461 HydrophobicContact CD1-CB 3.84Å; F457-L461 HydrophobicContact CD1-CD1 3.9Å; F457-L461 HydrophobicContact CD2-CD1 4.44Å; F457-L461 HydrophobicContact CE1-CD1 3.39Å; F457-L461 HydrophobicContact CE2-CD1 3.98Å; F457-L461 HydrophobicContact CG-CD1 4.41Å; F457-L461 HydrophobicContact CZ-CD1 3.43Å; F457-L461 VanDerWaalsContact CZ-CD1 3.43Å; F457-L461 WeakPolarHBondContact O-CB 3.31Å; F457-L461 PolarHBondContact O-N 3.47Å; T458-L461 PolarHBondContact O-N 3.16Å; L461-R463 VanDerWaalsContact C-N 3.27Å; L461-R463 PolarHBondContact O-N 3.16Å; L461-F466 HydrophobicContact CD2-CD2 3.58Å; L461-F466 HydrophobicContact CD2-CE2 3.75Å; L461-F466 HydrophobicContact CG-CE2 4.49Å; L461-R497 VanDerWaalsContact O-CD 3.24Å; L461-R497 WeakPolarHBondContact O-CD 3.4Å; L461-R497 PolarHBondContact O-NH1 3.23Å
462Q98.6Very high98.1Very high5 Ų526.1 Ų26.12%0.02318%0.176CC..Hα-helixtrans-61.5-40.2171.4-177-17656.900110.8I335 G340 R343 T458 L460 R497I335-Q462 HydrophobicContact CG2-CB 3.8Å; I335-Q462 HydrophobicContact CG2-CG 3.82Å; G340-Q462 PolarHBondContact O-NE2 3.42Å; R343-Q462 PolarHBondContact O-NE2 3.42Å; T458-Q462 WeakPolarHBondContact O-CB 3.34Å; T458-Q462 PolarHBondContact O-N 2.91Å; L460-Q462 VanDerWaalsContact C-N 3.34Å; L460-Q462 PolarHBondContact O-N 2.72Å; Q462-R497 PolarHBondContact O-NH1 3.39Å
463R98.1Very high98.1Very high98 Ų9831.4 Ų31.437%0.3721%0.21SC..Hα-helixtrans-99.7-25.9-171.9-68.1-172.1173.4-153.3-4.4114.9C459 L460 L461 P496 R497C459-R463 PolarHBondContact O-N 3.37Å; L460-R463 PolarHBondContact O-N 3.01Å; L461-R463 VanDerWaalsContact C-N 3.27Å; L461-R463 PolarHBondContact O-N 3.16Å; R463-P496 CarbonylContact O-C 3.48Å; R463-P496 WeakPolarHBondContact O-CA 3.49Å; R463-R497 PolarHBondContact O-N 3.21Å
464F98.8Very high98Very high2 Ų238.5 Ų38.51%0.00924%0.236CC..EExtended strand (participates in β ladder)trans-126.4146.2-172.6-58.2-77.1000112.4C161 F164 T165 Q332 L460 F466 A494 V495 P496C161-F464 HydrophobicContact CB-CE2 3.98Å; C161-F464 WeakPolarHBondContact O-CZ 3.32Å; F164-F464 HydrophobicContact CB-CD2 4.49Å; F164-F464 HydrophobicContact CB-CE1 4.33Å; F164-F464 HydrophobicContact CB-CE2 3.82Å; F164-F464 HydrophobicContact CB-CZ 3.73Å; T165-F464 WeakPolarHBondContact OG1-CZ 3.23Å; Q332-F464 PolarHBondContact NE2-O 3.39Å; L460-F464 HydrophobicContact CD2-CD2 4.46Å; L460-F464 WeakPolarHBondContact O-CB 3.3Å; L460-F464 WeakPolarHBondContact O-CD2 3.34Å; L460-F464 PolarHBondContact O-N 3.2Å; F464-F466 HydrophobicContact CB-CE1 4.05Å; F464-F466 HydrophobicContact CB-CE2 3.96Å; F464-F466 HydrophobicContact CB-CZ 3.69Å; F464-F466 HydrophobicContact CD2-CZ 4.28Å; F464-F466 HydrophobicContact CG-CZ 4.28Å; F464-A494 HydrophobicContact CB-CB 4.44Å; F464-A494 HydrophobicContact CD1-CB 4.09Å; F464-A494 HydrophobicContact CG-CB 4.32Å; F464-V495 CarbonylContact C-O 2.98Å; F464-V495 VanDerWaalsContact CA-O 3.31Å; F464-V495 WeakPolarHBondContact CA-O 3.39Å; F464-P496 HydrophobicContact CD1-CG 4.5Å; F464-P496 HydrophobicContact CE1-CG 4.28Å
465S98.8Very high98Very high51 Ų5139.5 Ų39.536%0.35724%0.243SC..EExtended strand (participates in β ladder)trans-100.8121.7158.7-166.40000108.8V495S465-V495 PolarHBondContact N-O 3.06Å; S465-V495 PolarHBondContact O-N 2.95Å
466F98.8Very high97.9Very high4 Ų442 Ų422%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-94.9140.1178.7-60.1-74.3000111.2F164 L318 I322 Q328 L460 L461 F464 L492 C493 A494F164-F466 AromaticContact CD1-CE1 3.73Å; F164-F466 HydrophobicContact CD1-CE1 3.73Å; F164-F466 HydrophobicContact CD1-CZ 4.07Å; F164-F466 AromaticContact CE1-CE1 3.61Å; F164-F466 HydrophobicContact CE1-CE1 3.61Å; F164-F466 AromaticContact CE1-CZ 3.97Å; F164-F466 HydrophobicContact CE1-CZ 3.97Å; L318-F466 HydrophobicContact CD2-CD2 3.95Å; L318-F466 HydrophobicContact CD2-CE1 4.35Å; L318-F466 HydrophobicContact CD2-CE2 3.66Å; L318-F466 HydrophobicContact CD2-CG 4.41Å; L318-F466 HydrophobicContact CD2-CZ 3.88Å; I322-F466 HydrophobicContact CG2-CB 3.55Å; Q328-F466 PolarHBondContact NE2-O 3.38Å; L460-F466 HydrophobicContact CB-CE2 4.09Å; L460-F466 HydrophobicContact CB-CZ 4.03Å; L460-F466 HydrophobicContact CD2-CZ 4.33Å; L461-F466 HydrophobicContact CD2-CD2 3.58Å; L461-F466 HydrophobicContact CD2-CE2 3.75Å; L461-F466 HydrophobicContact CG-CE2 4.49Å; F464-F466 HydrophobicContact CB-CE1 4.05Å; F464-F466 HydrophobicContact CB-CE2 3.96Å; F464-F466 HydrophobicContact CB-CZ 3.69Å; F464-F466 HydrophobicContact CD2-CZ 4.28Å; F464-F466 HydrophobicContact CG-CZ 4.28Å; F466-L492 HydrophobicContact CD1-CD1 3.7Å; F466-L492 HydrophobicContact CD1-CD2 3.91Å; F466-L492 HydrophobicContact CD1-CG 4.41Å; F466-L492 HydrophobicContact CE1-CD2 4.43Å; F466-L492 HydrophobicContact CE1-CD1 4.13Å; F466-C493 WeakPolarHBondContact CA-O 3.19Å; F466-C493 VanDerWaalsContact CA-O 3.3Å; F466-A494 HydrophobicContact CD1-CB 3.83Å; F466-A494 HydrophobicContact CE1-CB 3.56Å
467S98.6Very high97.7Very high52 Ų5245.6 Ų45.636%0.36428%0.277SS..EExtended strand (participates in β ladder)trans-146.2159.1176.655.90000112.4L492 C493S467-L492 WeakPolarHBondContact O-CA 3.39Å; S467-C493 PolarHBondContact N-O 3.22Å; S467-C493 PolarHBondContact O-N 3.18Å
468V98.4Very high97.5Very high41 Ų4151.3 Ų51.325%0.24830%0.303CS..PPolyproline II helixtrans-65.5130.4167.2-179.50000108.1I322 A470I322-V468 HydrophobicContact CB-CG2 4.14Å; I322-V468 HydrophobicContact CD1-CG2 4.14Å; I322-V468 HydrophobicContact CG1-CG2 4.23Å; V468-A470 PolarHBondContact O-N 3.17Å
469P97.8Very high97.2Very high3 Ų352.8 Ų52.82%0.01932%0.319CS..PPolyproline II helixtrans-55.8136.9177.7-27.837.2000112.3P171 G471 Q472 E491P171-P469 HydrophobicContact CB-CB 4.01Å; P171-P469 HydrophobicContact CB-CG 3.76Å; P171-P469 HydrophobicContact CG-CB 3.81Å; P171-P469 HydrophobicContact CG-CG 4.09Å; P469-G471 PolarHBondContact O-N 3.16Å; P469-Q472 HydrophobicContact CB-CB 4.35Å; P469-Q472 VanDerWaalsContact O-N 3.11Å; P469-Q472 PolarHBondContact O-N 3.27Å; P469-Q472 WeakPolarHBondContact O-CB 3.35Å; P469-Q472 HydrophobicContact CB-CG 3.94Å; P469-E491 WeakPolarHBondContact CD-O 3.22Å; P469-E491 HydrophobicContact CG-CB 4.13Å
470A95.9Very high96.9Very high107 Ų10755.9 Ų55.988%0.88434%0.337SS*.THydrogen-bonded Turntrans-57.9133.5179.200000111.2V468 Q472V468-A470 PolarHBondContact O-N 3.17Å; A470-Q472 VanDerWaalsContact C-N 3.28Å; A470-Q472 PolarHBondContact O-N 3.34Å
471G95.4Very high96.5Very high90 Ų9058.3 Ų58.393%0.92835%0.348SS*.THydrogen-bonded Turntrans81.3-3.3-179.100000115.3P469P469-G471 PolarHBondContact O-N 3.16Å
472Q96.1Very high95.9Very high74 Ų7460.8 Ų60.835%0.34637%0.368SS..SBendtrans-90.4149.1171.4-66.7-168.811.700111.7P469 A470 E491P469-Q472 HydrophobicContact CB-CB 4.35Å; P469-Q472 VanDerWaalsContact O-N 3.11Å; P469-Q472 PolarHBondContact O-N 3.27Å; P469-Q472 WeakPolarHBondContact O-CB 3.35Å; P469-Q472 HydrophobicContact CB-CG 3.94Å; A470-Q472 VanDerWaalsContact C-N 3.28Å; A470-Q472 PolarHBondContact O-N 3.34Å; Q472-E491 PolarHBondContact NE2-OE2 3.09Å
473P96.6Very high95.1Very high112 Ų11264.2 Ų64.273%0.72738%0.383SS*.PPolyproline II helixtrans-64.8152.4173.528.9-35.1000110.9P475P473-P475 WeakPolarHBondContact O-CD 3.47Å; P473-P475 VanDerWaalsContact O-CD 3.31Å
474R97.1Very high94.7Very high156 Ų15660.1 Ų60.159%0.58937%0.368SS*.PPolyproline II helixtrans-56.2122.6171.5-177.5178.1175.298.41.4109.2L323L323-R474 HydrophobicContact CD2-CG 3.56Å; L323-R474 PolarHBondContact O-NH1 2.99Å; L323-R474 VanDerWaalsContact O-NH1 3.15Å; L323-R474 PolarHBondContact O-NH2 2.82Å
475P97.7Very high94.5Very high20 Ų2060.8 Ų60.813%0.1337%0.373CS..PPolyproline II helixtrans-59.1150.5177.9-27.236.2000112.8L319 I322 L323 P473L319-P475 HydrophobicContact CD1-CB 3.72Å; L319-P475 HydrophobicContact CD1-CG 4.38Å; I322-P475 HydrophobicContact CD1-CG 4.23Å; L323-P475 HydrophobicContact CD2-CB 4.47Å; P473-P475 WeakPolarHBondContact O-CD 3.47Å; P473-P475 VanDerWaalsContact O-CD 3.31Å
476S97.3Very high94.4Very high53 Ų5360.8 Ų60.837%0.37137%0.371SS..PPolyproline II helixtrans-68.7140.2173.3-177.80000110.6H478S476-H478 VanDerWaalsContact C-N 3.32Å; S476-H478 PolarHBondContact OG-N 3.37Å
477H94.6Very high94.3Very high77 Ų7760.9 Ų60.936%0.35637%0.372SS..  trans-91.94.8169.561.6-86.8000112.4W316 L323 F366W316-H477 WeakPolarHBondContact CH2-O 3.28Å; W316-H477 WeakPolarHBondContact CZ3-O 3.17Å; L323-H477 HydrophobicContact CD1-CB 3.95Å; F366-H477 HydrophobicContact CE1-CB 4.28Å; F366-H477 HydrophobicContact CZ-CB 4.23Å; F366-H477 AromaticContact CZ-CD2 3.87Å
478H94Very high94.2Very high123 Ų12359.9 Ų59.957%0.56937%0.365SS*.PPolyproline II helixtrans-88130.1172.9-62.8-66.3000110.6S476 S488S476-H478 VanDerWaalsContact C-N 3.32Å; S476-H478 PolarHBondContact OG-N 3.37Å; H478-S488 PolarHBondContact O-OG 3.47Å
479G93.7Very high94.1Very high32 Ų3262.6 Ų62.633%0.3338%0.383SS..EExtended strand (participates in β ladder)trans-78.5159.6176.800000112.9T486G479-T486 CarbonylContact C-O 3.52Å; G479-T486 WeakPolarHBondContact CA-O 3.08Å
480V92.1Very high94.1Very high73 Ų7362.9 Ų62.944%0.44238%0.384SS..EExtended strand (participates in β ladder)trans-91.4116.4170.7-178.50000107.9T486V480-T486 PolarHBondContact N-O 3.48Å; V480-T486 PolarHBondContact O-N 3.3Å
481F89.5Confident94.3Very high52 Ų5260.5 Ų60.523%0.22835%0.354CS..PPolyproline II helixtrans-74.4127.6-179.9177.4-103.1000111.5K52 T54 P55 P371 L372 V485K52-F481 WeakPolarHBondContact O-CD1 3.43Å; T54-F481 WeakPolarHBondContact OG1-CE1 3.49Å; P55-F481 VanDerWaalsContact CD-CE2 3.44Å; P55-F481 HydrophobicContact CG-CD2 3.59Å; P55-F481 HydrophobicContact CG-CE2 3.52Å; P55-F481 HydrophobicContact CG-CG 4.4Å; P55-F481 HydrophobicContact CG-CZ 4.26Å; P371-F481 HydrophobicContact CG-CD2 4.03Å; P371-F481 HydrophobicContact CG-CE2 3.76Å; L372-F481 HydrophobicContact CD1-CZ 4.22Å; F481-V485 HydrophobicContact CD2-CG2 3.96Å
482A85.4Confident94.4Very high51 Ų5156.2 Ų56.242%0.42131%0.31SS..SBendtrans-145-151.116400000107.3L484A482-L484 PolarHBondContact N-O 3.28Å; A482-L484 PolarHBondContact O-N 2.95Å
483F82Confident94.5Very high78 Ų7853.4 Ų53.434%0.34230%0.299SS..SBendtrans-59-39.7167.8177.3-101.2000111.9F120 L213 V374F120-F483 HydrophobicContact CZ-CZ 4.21Å; L213-F483 HydrophobicContact CD1-CD1 3.86Å; V374-F483 HydrophobicContact CG2-CZ 4.35Å
484L90.9Very high94.6Very high11 Ų1148.1 Ų48.16%0.05827%0.265CS..SBendtrans-111.5142167.5-66.7175.8000109.9L213 V308 T309 I369 V370 A482L213-L484 HydrophobicContact CD2-CD1 4.11Å; V308-L484 HydrophobicContact CB-CD1 3.89Å; V308-L484 HydrophobicContact CG1-CD1 3.41Å; V308-L484 VanDerWaalsContact CG1-CD1 3.41Å; T309-L484 HydrophobicContact CG2-CD1 4.38Å; T309-L484 HydrophobicContact CG2-CD2 4.33Å; I369-L484 CarbonylContact O-C 3.55Å; I369-L484 VanDerWaalsContact O-CA 3.24Å; I369-L484 WeakPolarHBondContact O-CA 3.37Å; I369-L484 WeakPolarHBondContact O-CD2 3.32Å; V370-L484 HydrophobicContact CB-CD2 4.45Å; V370-L484 HydrophobicContact CG1-CD2 4.49Å; V370-L484 HydrophobicContact CG2-CD2 3.62Å; A482-L484 PolarHBondContact N-O 3.28Å; A482-L484 PolarHBondContact O-N 2.95Å
485V94.9Very high94.7Very high17 Ų1744.1 Ų44.110%0.10326%0.257CS..  trans-90.5108.8174.5179.20000109.2T312 W316 I369 P371 F481T312-V485 WeakPolarHBondContact CG2-O 3.39Å; W316-V485 HydrophobicContact CZ2-CG1 4.14Å; W316-V485 PolarHBondContact NE1-O 3.16Å; W316-V485 VanDerWaalsContact NE1-O 3.13Å; I369-V485 PolarHBondContact O-N 3.4Å; P371-V485 HydrophobicContact CG-CG2 3.62Å; F481-V485 HydrophobicContact CD2-CG2 3.96Å
486T95.4Very high94.6Very high51 Ų5147.1 Ų47.131%0.31328%0.277SS..EExtended strand (participates in β ladder)trans-96.1152.5175.457.70000110.5T312 G479 V480T312-T486 HydrophobicContact CG2-CG2 3.89Å; G479-T486 CarbonylContact C-O 3.52Å; G479-T486 WeakPolarHBondContact CA-O 3.08Å; V480-T486 PolarHBondContact N-O 3.48Å; V480-T486 PolarHBondContact O-N 3.3Å
487P97.2Very high94.6Very high5 Ų549.6 Ų49.63%0.03228%0.278CS..EExtended strand (participates in β ladder)trans-61.2147.4169.226.6-32.4000109.9A315 W316 L319 Y490A315-P487 HydrophobicContact CB-CG 4Å; W316-P487 HydrophobicContact CD2-CB 4.08Å; W316-P487 HydrophobicContact CD2-CG 4.5Å; W316-P487 HydrophobicContact CE3-CB 4.31Å; W316-P487 HydrophobicContact CH2-CB 4.47Å; W316-P487 HydrophobicContact CZ2-CB 4.25Å; W316-P487 HydrophobicContact CZ3-CB 4.5Å; L319-P487 HydrophobicContact CD2-CB 3.55Å; P487-Y490 HydrophobicContact CB-CD1 4.38Å; P487-Y490 HydrophobicContact CB-CE1 4.21Å; P487-Y490 HydrophobicContact CG-CE1 4.05Å
488S96.1Very high94.6Very high31 Ų3148.2 Ų48.222%0.21727%0.274CS..PPolyproline II helixtrans-53.9143.1168.8-700000110H478 Y490H478-S488 PolarHBondContact O-OG 3.47Å; S488-Y490 WeakPolarHBondContact O-CD1 3.34Å; S488-Y490 PolarHBondContact O-N 3.47Å
489P96.9Very high94.6Very high98 Ų9844.3 Ų44.364%0.63626%0.258SS*.PPolyproline II helixtrans-52.5128.5-178.7-27.234.6000112
490Y98.2Very high94.7Very high9 Ų944.9 Ų44.94%0.03525%0.254CS..  trans-144158-179.174.3-84.9000110.7P174 A315 L318 L319 I322 P487 S488 L492P174-Y490 HydrophobicContact CG-CE2 4.12Å; A315-Y490 PolarHBondContact O-OH 3.33Å; L318-Y490 WeakPolarHBondContact CB-OH 3.45Å; L319-Y490 HydrophobicContact CB-CD1 4.27Å; L319-Y490 HydrophobicContact CB-CE1 3.73Å; L319-Y490 HydrophobicContact CB-CE2 4.17Å; L319-Y490 HydrophobicContact CD1-CD1 4.05Å; L319-Y490 HydrophobicContact CD1-CD2 4.13Å; L319-Y490 HydrophobicContact CD1-CE1 4.36Å; L319-Y490 HydrophobicContact CD1-CE2 4.42Å; L319-Y490 HydrophobicContact CD1-CG 3.94Å; L319-Y490 HydrophobicContact CD2-CD1 4.46Å; L319-Y490 HydrophobicContact CG-CD1 4.49Å; L319-Y490 HydrophobicContact CG-CE1 4.41Å; L319-Y490 PolarHBondContact N-OH 2.84Å; I322-Y490 HydrophobicContact CD1-CD2 3.7Å; I322-Y490 HydrophobicContact CD1-CE2 3.93Å; P487-Y490 HydrophobicContact CB-CD1 4.38Å; P487-Y490 HydrophobicContact CB-CE1 4.21Å; P487-Y490 HydrophobicContact CG-CE1 4.05Å; S488-Y490 WeakPolarHBondContact O-CD1 3.34Å; S488-Y490 PolarHBondContact O-N 3.47Å; Y490-L492 HydrophobicContact CE2-CB 4.45Å; Y490-L492 HydrophobicContact CE2-CD2 4.09Å
491E98.3Very high94.8Very high57 Ų5743.3 Ų43.327%0.26624%0.243SC..  trans-113.7154.8171.3-67.9178.8165.600109.7P171 F172 R173 P469 Q472P171-E491 HydrophobicContact CB-CB 4.43Å; F172-E491 WeakPolarHBondContact O-CA 3.39Å; R173-E491 HydrophobicContact CG-CG 3.77Å; P469-E491 WeakPolarHBondContact CD-O 3.22Å; P469-E491 HydrophobicContact CG-CB 4.13Å; Q472-E491 PolarHBondContact NE2-OE2 3.09Å
492L98.5Very high95.2Very high0 Ų042.8 Ų42.80%024%0.244CC..BIsolated β-bridgetrans-135.9157.5173.763.571.3000110.6P171 F172 P174 L318 I322 F466 S467 Y490 A494P171-L492 WeakPolarHBondContact CA-O 3.47Å; F172-L492 HydrophobicContact CD1-CD1 4.25Å; F172-L492 HydrophobicContact CE1-CD1 3.56Å; F172-L492 HydrophobicContact CZ-CD1 3.78Å; F172-L492 PolarHBondContact N-O 3.24Å; F172-L492 VanDerWaalsContact N-O 3.11Å; F172-L492 PolarHBondContact O-N 2.99Å; P174-L492 HydrophobicContact CB-CD2 4.27Å; P174-L492 HydrophobicContact CG-CD2 3.89Å; P174-L492 HydrophobicContact CG-CG 4.32Å; L318-L492 HydrophobicContact CB-CD2 3.89Å; L318-L492 HydrophobicContact CD1-CD2 4.01Å; L318-L492 HydrophobicContact CG-CD2 4.49Å; I322-L492 HydrophobicContact CD1-CB 4.24Å; I322-L492 HydrophobicContact CG2-CB 4.12Å; F466-L492 HydrophobicContact CD1-CD1 3.7Å; F466-L492 HydrophobicContact CD1-CD2 3.91Å; F466-L492 HydrophobicContact CD1-CG 4.41Å; F466-L492 HydrophobicContact CE1-CD2 4.43Å; F466-L492 HydrophobicContact CE1-CD1 4.13Å; S467-L492 WeakPolarHBondContact O-CA 3.39Å; Y490-L492 HydrophobicContact CE2-CB 4.45Å; Y490-L492 HydrophobicContact CE2-CD2 4.09Å; L492-A494 HydrophobicContact CD1-CB 4.14Å
493C98.6Very high95.8Very high16 Ų1642.2 Ų42.211%0.10823%0.232CC..EExtended strand (participates in β ladder)trans-100130.4163.7-74.90000108.7G169 F466 S467G169-C493 PolarHBondContact O-SG 2.7Å; F466-C493 WeakPolarHBondContact CA-O 3.19Å; F466-C493 VanDerWaalsContact CA-O 3.3Å; S467-C493 PolarHBondContact N-O 3.22Å; S467-C493 PolarHBondContact O-N 3.18Å
494A98.4Very high96.8Very high1 Ų139.6 Ų39.61%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-109110.8172.600000109F164 G169 F172 F464 F466 L492F164-A494 HydrophobicContact CD1-CB 4.05Å; G169-A494 WeakPolarHBondContact CA-O 3.38Å; F172-A494 HydrophobicContact CE1-CB 4.01Å; F172-A494 HydrophobicContact CZ-CB 4.4Å; F464-A494 HydrophobicContact CB-CB 4.44Å; F464-A494 HydrophobicContact CD1-CB 4.09Å; F464-A494 HydrophobicContact CG-CB 4.32Å; F466-A494 HydrophobicContact CD1-CB 3.83Å; F466-A494 HydrophobicContact CE1-CB 3.56Å; L492-A494 HydrophobicContact CD1-CB 4.14Å
495V98.1Very high97.3Very high72 Ų7241.8 Ų41.844%0.43624%0.237SC..EExtended strand (participates in β ladder)trans-110.4128.6-179.3-176.70000108.8F464 S465F464-V495 CarbonylContact C-O 2.98Å; F464-V495 VanDerWaalsContact CA-O 3.31Å; F464-V495 WeakPolarHBondContact CA-O 3.39Å; S465-V495 PolarHBondContact N-O 3.06Å; S465-V495 PolarHBondContact O-N 2.95Å
496P97.6Very high97.4Very high82 Ų8243.9 Ų43.953%0.53225%0.248SC..EExtended strand (participates in β ladder)trans-54.7143175.6-26.235.1000112.6R463 F464R463-P496 CarbonylContact O-C 3.48Å; R463-P496 WeakPolarHBondContact O-CA 3.49Å; F464-P496 HydrophobicContact CD1-CG 4.5Å; F464-P496 HydrophobicContact CE1-CG 4.28Å
497R96.1Very high97.6Very high105 Ų10543.3 Ų43.340%0.39624%0.243SC..  trans-87.10178.1-68.1176.268-134.4-0.5112.9D336 L461 Q462 R463D336-R497 VanDerWaalsContact CG-NH2 3.25Å; D336-R497 IonicContact OD1-CZ 3.08Å; D336-R497 IonicContact OD1-NH1 3.68Å; D336-R497 PolarHBondContact OD1-NH1 2.92Å; D336-R497 IonicContact OD1-NH2 2.75Å; D336-R497 PolarHBondContact OD1-NH2 2.61Å; D336-R497 IonicContact OD2-CZ 3.15Å; D336-R497 IonicContact OD2-NH2 2.7Å; D336-R497 PolarHBondContact OD2-NH2 3.43Å; L461-R497 VanDerWaalsContact O-CD 3.24Å; L461-R497 WeakPolarHBondContact O-CD 3.4Å; L461-R497 PolarHBondContact O-NH1 3.23Å; Q462-R497 PolarHBondContact O-NH1 3.39Å; R463-R497 PolarHBondContact O-N 3.21Å

Retrieved 497 of 497 residues in 256.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).